WorldWideScience

Sample records for extraction equilibrium constants

  1. Critical evaluation of some equilibrium constants involving organophosphorus extractants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Critical Evaluation of Some Equilibrium Constants Involving Organophosphorus Extractants is a supplementary text to the compilation ""Equilibrium Constants of Liquid-Liquid Distribution Reactions (Introduction, and Part I: Organophosphorus Extractants).The book contains a number of well documented chemical reactions that are critically evaluated. The reactions evaluated comprise those from List 1 for which data are available. There are, however, a great variety of reactions that cannot be critically evaluated due to lack of experimental data and unverifiable results.Chemists will find this com

  2. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  3. Calculation of individual isotope equilibrium constants for geochemical reactions

    Science.gov (United States)

    Thorstenson, D.C.; Parkhurst, D.L.

    2004-01-01

    Theory is derived from the work of Urey (Urey H. C. [1947] The thermodynamic properties of isotopic substances. J. Chem. Soc. 562-581) to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by ?? = (Kex)1/n, where n is the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example 13C16O18O and 1H2H18O. The equilibrium constants of the isotope exchange reactions can be expressed as ratios of individual isotope equilibrium constants for geochemical reactions. Knowledge of the equilibrium constant for the dominant isotopic species can then be used to calculate the individual isotope equilibrium constants. Individual isotope equilibrium constants are calculated for the reaction CO2g = CO2aq for all species that can be formed from 12C, 13C, 16O, and 18O; for the reaction between 12C18 O2aq and 1H218Ol; and among the various 1H, 2H, 16O, and 18O species of H2O. This is a subset of a larger number of equilibrium constants calculated elsewhere (Thorstenson D. C. and Parkhurst D. L. [2002] Calculation of individual isotope equilibrium constants for implementation in geochemical models. Water-Resources Investigation Report 02-4172. U.S. Geological Survey). Activity coefficients, activity-concentration conventions for the isotopic variants of H2O in the solvent 1H216Ol, and salt effects on isotope fractionation have been included in the derivations. The effects of nonideality are small because of the chemical similarity of different isotopic species of the same molecule or ion. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation

  4. One-group constant libraries for nuclear equilibrium state

    Energy Technology Data Exchange (ETDEWEB)

    Mizutani, Akihiko; Sekimoto, Hiroshi [Tokyo Inst. of Tech. (Japan). Research Lab. for Nuclear Reactors

    1997-03-01

    One-group constant libraries for the nuclear equilibrium state were generated for both liquid sodium cooled MOX fuel type fast reactor and PWR type thermal reactor with Equilibrium Cell Iterative Calculation System (ECICS) using JENDL-3.2, -3, -2 and ENDF/B-VI nuclear data libraries. ECICS produced one-group constant sets for 129 heavy metal nuclides and 1238 fission products. (author)

  5. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    -Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  6. Equilibrium morphologies and effective spring constants of capillary bridges.

    Science.gov (United States)

    Kusumaatmaja, Halim; Lipowsky, Reinhard

    2010-12-21

    We theoretically study the behavior of a liquid bridge formed between a pair of rigid and parallel plates. The plates are smooth, they may either be homogeneous or decorated by circular patches of more hydrophilic domains, and they are generally not identical. We calculate the mechanical equilibrium distance of the liquid bridge as a function of liquid volume, contact angle, and radius of the chemical domain. We show that a liquid bridge can be an equilibrium configuration as long as the sum of the contact angles at the two walls is larger than 180°. When comparisons are possible, our results agree well with recent analytical and molecular dynamics simulation results. We also derive the effective spring constant of the liquid bridge as it is perturbed from its equilibrium distance. The spring constant diverges when the sum of the contact angles is 180° and is finite otherwise. The value of the spring constant decreases with increasing contact angle and volume, and the rate at which it decreases depends strongly on the properties of the two plates.

  7. Equilibrium structure and rotational constant of HCC/sup +/

    Energy Technology Data Exchange (ETDEWEB)

    Montgomery, J.A. Jr.; Dykstra, C.E.

    1979-08-01

    Using ab initio electronic structure techniques, the equilibrium structure of HCC/sup +/ has been predicted and the resulting equilibrium rotational constant (B/sub e/) is 44.3 GHz. Through comparison of the experimentally determined J=1..-->..0 transition frequency with a similarly calculated B/sub e/ for HNN/sup +/, the J=1..-->..0 transition in HCC/sup +/ is predicted to occur at 88.2 GHz. Isotopic substitution gives a rotational constant (B/sub e/) for DCC/sup +/ of 36.3 GHz. An estimate of the hyperfine interaction leads to the prediction that the rotational spectrum of DCC/sup +/ will consist of three lines around 72.6 GHz with separations of 0.09 and 0.06 MHz. While error limits from theoretical determinations are not clear cut, the use of a large basis set and careful treatment of electron correlation suggest that an experimentally determined transition frequency for HCC/sup +/ is most likely to be within +- 0.3 GHz of 88.2 GHz.

  8. Conjugate Acid-Base Pairs, Free Energy, and the Equilibrium Constant

    Science.gov (United States)

    Beach, Darrell H.

    1969-01-01

    Describes a method of calculating the equilibrium constant from free energy data. Values of the equilibrium constants of six Bronsted-Lowry reactions calculated by the author's method and by a conventional textbook method are compared. (LC)

  9. Displacement of estimates of chemical equilibrium constants at breaking of determinancy of independent variables of equilibrium system regression models

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaeva, L.S.; Prikhod' ko, N.V.; Evseev, A.M.; Rozen, A.M.; Kolychev, A.E.; Gontar, B.G. (Moskovskij Gosudarstvennyj Univ. (USSR). Khimicheskij Fakul' tet)

    1982-07-01

    Using as an example regression models of extraction systems HNO/sub 3/-TBP-H/sub 2/O, UO/sub 2/(NO/sub 3/)/sub 2/-TBP-H/sub 2/O it has been shown that disregard of errors of the controlled (independent) variables 3% measurement error of UO/sub 2/(NO/sub 3/)/sub 2/ equilibrium concentration and 3% error of the determination of HNO/sub 3/ activity coefficient results in the displacement of evaluations of certain equilibria constants and leads to incorrect conclusion on the mechanism of chemical equilibria.

  10. Determining Equilibrium Constants for Dimerization Reactions from Molecular Dynamics Simulations

    NARCIS (Netherlands)

    De Jong, Djurre H.; Schafer, Lars V.; De Vries, Alex H.; Marrink, Siewert J.; Berendsen, Herman J. C.; Grubmueller, Helmut

    2011-01-01

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices c

  11. Galvanic Cells and the Determination of Equilibrium Constants

    Science.gov (United States)

    Brosmer, Jonathan L.; Peters, Dennis G.

    2012-01-01

    Readily assembled mini-galvanic cells can be employed to compare their observed voltages with those predicted from the Nernst equation and to determine solubility products for silver halides and overall formation constants for metal-ammonia complexes. Results obtained by students in both an honors-level first-year course in general chemistry and…

  12. Galvanic Cells and the Determination of Equilibrium Constants

    Science.gov (United States)

    Brosmer, Jonathan L.; Peters, Dennis G.

    2012-01-01

    Readily assembled mini-galvanic cells can be employed to compare their observed voltages with those predicted from the Nernst equation and to determine solubility products for silver halides and overall formation constants for metal-ammonia complexes. Results obtained by students in both an honors-level first-year course in general chemistry and…

  13. Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

    Science.gov (United States)

    Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

    2013-01-01

    A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis…

  14. Weak Acid Ionization Constants and the Determination of Weak Acid-Weak Base Reaction Equilibrium Constants in the General Chemistry Laboratory

    Science.gov (United States)

    Nyasulu, Frazier; McMills, Lauren; Barlag, Rebecca

    2013-01-01

    A laboratory to determine the equilibrium constants of weak acid negative weak base reactions is described. The equilibrium constants of component reactions when multiplied together equal the numerical value of the equilibrium constant of the summative reaction. The component reactions are weak acid ionization reactions, weak base hydrolysis…

  15. Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.

    Science.gov (United States)

    De Jong, Djurre H; Schäfer, Lars V; De Vries, Alex H; Marrink, Siewert J; Berendsen, Herman J C; Grubmüller, Helmut

    2011-07-15

    With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations "via counting" become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha-helices. If an extended simulation of the two helices covers sufficiently many dimerization and dissociation events, their binding free energy is readily derived from the fraction of time during which the two helices are observed in dimeric form. Exactly how the correct value for the free energy is to be calculated, however, is unclear, and indeed several different and contradictory approaches have been used. In particular, results obtained via Boltzmann statistics differ from those determined via the law of mass action. Here, we develop a theory that resolves this discrepancy. We show that for simulation systems containing two molecules, the dimerization free energy is given by a formula of the form ΔG ∝ ln(P(1) /P(0) ). Our theory is also applicable to high concentrations that typically have to be used in molecular dynamics simulations to keep the simulation system small, where the textbook dilute approximations fail. It also covers simulations with an arbitrary number of monomers and dimers and provides rigorous error estimates. Comparison with test simulations of a simple Lennard Jones system with various particle numbers as well as with reference free energy values obtained from radial distribution functions show full agreement for both binding free energies and dimerization statistics.

  16. Critical evaluation of equilibrium constants involving 8-hydroxyquinoline and its metal chelates critical evaluation of equilibrium constants in solution : part b : equilibrium constants of liquid-liquid distribution systems

    CERN Document Server

    Stary, J

    1979-01-01

    Critical Evaluation of Equilibrium Constants Involving 8-Hydroxyquinoline and Its Metal Chelates presents and evaluates the published data on the solubility, dissociation, and liquid-liquid distribution of oxine and its metal chelates to recommend the most reliable numerical data. This book explores the dissociation constants of oxine in aqueous solutions.Organized into four chapters, this book begins with an overview of the characteristics of 8-hydroxyquinoline (oxine). This text then examines the total solubility of oxine in aqueous solution at different pH values. Other chapters consider th

  17. Critical survey of stability constants of EDTA complexes critical evaluation of equilibrium constants in solution stability constants of metal complexes

    CERN Document Server

    Anderegg, G

    2013-01-01

    Critical Survey of Stability Constants of EDTA Complexes focuses on the computations, values, and characteristics of stability constants. The book emphasizes that for a critical discussion of experimentally determined stability constants, it is important to consider the precision of the values that manifests the self-consistency of the constant, taking into consideration the random errors. The publication reviews the stability constants of metal complexes. The numerical calculations affirm the reactions and transformations of metal ions when exposed to varying conditions. The text also present

  18. Does the Addition of Inert Gases at Constant Volume and Temperature Affect Chemical Equilibrium?

    Science.gov (United States)

    Paiva, Joao C. M.; Goncalves, Jorge; Fonseca, Susana

    2008-01-01

    In this article we examine three approaches, leading to different conclusions, for answering the question "Does the addition of inert gases at constant volume and temperature modify the state of equilibrium?" In the first approach, the answer is yes as a result of a common students' alternative conception; the second approach, valid only for ideal…

  19. Does the Addition of Inert Gases at Constant Volume and Temperature Affect Chemical Equilibrium?

    Science.gov (United States)

    Paiva, Joao C. M.; Goncalves, Jorge; Fonseca, Susana

    2008-01-01

    In this article we examine three approaches, leading to different conclusions, for answering the question "Does the addition of inert gases at constant volume and temperature modify the state of equilibrium?" In the first approach, the answer is yes as a result of a common students' alternative conception; the second approach, valid only for ideal…

  20. CONCENTRATION DEPENDENCE OF STERN LAYER CAPACITANCES AND SURFACE EQUILIBRIUM CONSTANTS IN SILICA-BASED NANOFLUIDIC CHANNELS

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, J.; Bruus, Henrik

    2010-01-01

    ]. The current models used to describe surface phenomena in nanofluidics can differ by orders of magnitude from experimentally measured values [2]. To mitigate the discrepancies, we hypothesize that the Stern-layer capacitance Cs and the surface equilibrium constants pKa, vary with the composition of the solid...

  1. Quantum-statistical equilibrium and the ``law'' of constant Fermi potential

    Science.gov (United States)

    Le Coz, Yannick L.

    2003-02-01

    We apply the general quantum-statistical density-matrix formalism to an independent-electron gas within a space-dependent external electric potential, under equilibrium conditions. This problem is analogous to an ideal semiconductor homojunction diode. We solve the resulting equilibrium density-matrix equation using a perturbation theory. Next, we derive a first-order quantum correction to the classical Maxwell-Boltzmann density-potential formula. The correction appears as an added curvature term in external potential. It represents expected quantum-mechanical scattering against a spatially varying potential. Our results indicate that the commonly encountered thermodynamic or statistical-mechanical "law" of constant, equilibrium Fermi potential—with Fermi potential a parameter in the Maxwell-Boltzmann density-potential formula—is not fundamentally exact. In a general space-dependent potential, this "law," we prove, is simply a classical approximation.

  2. Equilibrium of Extraction of Succinic,Malic,Maleic and Fumaric Acids with Trioctylamine

    Institute of Scientific and Technical Information of China (English)

    LIZhenyu; QINWei; 等

    2002-01-01

    Extraction equilibrium features of succinic acid,malic acid,maleic acid and fumaric acid were investigated systematically with trioctylamine (TOA) in chloroform,4-methyl-2-pentanone (MIBK) and 1-octanol.Fourier transform-infrared(FTIR) spectroscopic analysis of organic samples loaded with the acid show that amine forms 1:1 complex of ion-pair association with succinic acid,malic acid and maleic acid,and 1:1,2:1 complex of ion-pair association with fumaric acid.It is proposed that the complex forms depend on the second dissociation constant of the dibasic acid,pKa2.Results of equilibrium experiments show that diluents affects extraction behavior,and depend on the solute concentration.Protic diluents,chloroform and 1-octanol,are more effective than the others when the equilibrium solute concentration.Protic diluents,chloroform and 1-octanol,are more effective tthan the others when the equilibrium solute concentration is lower than 1:1 stoichiometry of TOA to acid,otherwise the extraction ability shows that MIBK>1-octanol>chloroform for malic and maleic acids,and 1-octanol>MIBK>chloroform for succinic acid.Overloading(Solute concentration in organic phase is lager than TOA concentration) appears for all of the studied acids, and the sequence of overloading amount is the same as that of distribution constant of diluent.The results show that the sequence of extraction ability of different acid is the same as that of acidity at low equilibrium solute concentrations,while it is the same as the sequence of hydrophobicity at high equilibrium concentrations.

  3. CONCENTRATION DEPENDENCE OF STERN LAYER CAPACITANCES AND SURFACE EQUILIBRIUM CONSTANTS IN SILICA-BASED NANOFLUIDIC CHANNELS

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, J.; Bruus, Henrik

    2010-01-01

    ]. The current models used to describe surface phenomena in nanofluidics can differ by orders of magnitude from experimentally measured values [2]. To mitigate the discrepancies, we hypothesize that the Stern-layer capacitance Cs and the surface equilibrium constants pKa, vary with the composition of the solid-liquid......Fundamental understanding of the unique physics at the solid-liquid interface in nanofluidic channels is essential for the advancement of basic scientific knowledge and the development of novel applications for pharmaceuticals, environmental health and safety, energy harvesting and biometrics [1...

  4. Hydrogen--deuterium exchange in water vapor: the mass spectrometric sensitivities and the equilibrium constant

    Energy Technology Data Exchange (ETDEWEB)

    Pyper, J.W.; Dupzyk, R.J.; Friesen, R.D.; Bernasek, S.L.; May, C.A.; Echeverria, A.W.; Tolman, L.F.

    1976-04-21

    The equilibrium constant, K/sub HDO/, for the reaction H/sub 2/O + D/sub 2/O = 2HDO can be expressed as an intensity ratio, I, measured mass spectrometrically, times a sensitivity ratio, S, measured in mass spectrometric calibration experiments. The latter is difficult to measure and previously was assumed to be unity. The 2.4 percent discrepancy between K's from theoretical calculations and direct mass spectrometric measurements might be explained by another value of S. An indirect measurement of S using a pulsed-molecular beam quadrupole mass filter that has a unique three-chamber, three-leak gas inlet system is reported. The results show the sensitivities are probably equal and therefore S = 1. Systematic errors were found in the procedure, however, which precluded an unambiguous test of the theory.

  5. Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest

    CERN Document Server

    Barklem, Paul S

    2016-01-01

    Partition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10000 K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber and Herzberg with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura. Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also prov...

  6. Individual extraction constants of some univalent anions in the two-phase water-phenyltrifluoromethyl sulfone system.

    Science.gov (United States)

    Makrlík, Emanuel; Selucký, Pavel; Vaňura, Petr

    2011-12-01

    From extraction experiments and g-activity measurements, the extraction constants corresponding to the general equilibrium Cs+(aq) + A- (aq) Cs+(org) + A- (org) taking place in the two-phase water-phenyltrifluoromethyl sulfone (FS 13) system (A-= I-, ClO4-, MnO4-, Br-3, I-3, picrate, tetraphenylborate (BPh-4); aq = aqueous phase, org = FS 13 phase) were evaluated. Furthermore, the individual extraction constants of these 7 anions in the mentioned two-phase system were calculated; they were found to increase in the series of I-< ClO4- < Br-3 < MnO4-, picrate < I-3 < BPh-4.

  7. The universal statistical distributions of the affinity, equilibrium constants, kinetics and specificity in biomolecular recognition.

    Directory of Open Access Journals (Sweden)

    Xiliang Zheng

    2015-04-01

    Full Text Available We uncovered the universal statistical laws for the biomolecular recognition/binding process. We quantified the statistical energy landscapes for binding, from which we can characterize the distributions of the binding free energy (affinity, the equilibrium constants, the kinetics and the specificity by exploring the different ligands binding with a particular receptor. The results of the analytical studies are confirmed by the microscopic flexible docking simulations. The distribution of binding affinity is Gaussian around the mean and becomes exponential near the tail. The equilibrium constants of the binding follow a log-normal distribution around the mean and a power law distribution in the tail. The intrinsic specificity for biomolecular recognition measures the degree of discrimination of native versus non-native binding and the optimization of which becomes the maximization of the ratio of the free energy gap between the native state and the average of non-native states versus the roughness measured by the variance of the free energy landscape around its mean. The intrinsic specificity obeys a Gaussian distribution near the mean and an exponential distribution near the tail. Furthermore, the kinetics of binding follows a log-normal distribution near the mean and a power law distribution at the tail. Our study provides new insights into the statistical nature of thermodynamics, kinetics and function from different ligands binding with a specific receptor or equivalently specific ligand binding with different receptors. The elucidation of distributions of the kinetics and free energy has guiding roles in studying biomolecular recognition and function through small-molecule evolution and chemical genetics.

  8. The Universal Statistical Distributions of the Affinity, Equilibrium Constants, Kinetics and Specificity in Biomolecular Recognition

    Science.gov (United States)

    Zheng, Xiliang; Wang, Jin

    2015-01-01

    We uncovered the universal statistical laws for the biomolecular recognition/binding process. We quantified the statistical energy landscapes for binding, from which we can characterize the distributions of the binding free energy (affinity), the equilibrium constants, the kinetics and the specificity by exploring the different ligands binding with a particular receptor. The results of the analytical studies are confirmed by the microscopic flexible docking simulations. The distribution of binding affinity is Gaussian around the mean and becomes exponential near the tail. The equilibrium constants of the binding follow a log-normal distribution around the mean and a power law distribution in the tail. The intrinsic specificity for biomolecular recognition measures the degree of discrimination of native versus non-native binding and the optimization of which becomes the maximization of the ratio of the free energy gap between the native state and the average of non-native states versus the roughness measured by the variance of the free energy landscape around its mean. The intrinsic specificity obeys a Gaussian distribution near the mean and an exponential distribution near the tail. Furthermore, the kinetics of binding follows a log-normal distribution near the mean and a power law distribution at the tail. Our study provides new insights into the statistical nature of thermodynamics, kinetics and function from different ligands binding with a specific receptor or equivalently specific ligand binding with different receptors. The elucidation of distributions of the kinetics and free energy has guiding roles in studying biomolecular recognition and function through small-molecule evolution and chemical genetics. PMID:25885453

  9. Theoretical prediction of single-site surface-protonation equilibrium constants for oxides and silicates in water

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D.A.; Sahai, N. [Johns Hopkins Univ., Baltimore, MD (United States)

    1996-10-01

    The equilibrium constants for surface protonation of solid oxides and silicates can be estimated from theoretical considerations and known properties of the solids for use in the constant capacitance, diffuse double layer or triple layer models of surface complexation. The theoretical considerations take into account Born solvation theory for the adsorbing proton, electrostatic interactions of the adsorbing proton with a surface oxygen and an underlying metal, and an intrinsic binding of the proton to the surface. As a consequence, the equilibrium constants for the {nu}th ({nu} = 1 or 2) surface protonation reaction on the kth solid can be expressed in terms of the inverse of the dielectric constant of the solid (1/{epsilon}{sub k}) and an average Pauling bond strength per angstrom (s/r{sub M-OH}) for the solid according to log K{sub {nu}} = M{sub {nu}}(1/{epsilon}{sub k}) - B{sub {nu}}(s/r{sub M-OH}) + log K{sub ii,{nu}}{sup {double_prime}}, where the coefficients M{sub {nu}} B{sub {nu}} and K{sub ii{nu}}{sup {double_prime}} are constants characteristic of all oxides and silicates for each surface complexation model. Evaluation of these constants using experimental data for TiO{sub 2}, {gamma}-alumina, Al{sub 2}O{sub 3} FeOOH, Fe(OH){sub 3}, silica, quartz. and kaolinite permits widespread prediction of surface protonation equilibrium constants from the known bulk structure properties 1/{epsilon}{sub k} and s/r{sub M-OH}. Such predictions should replace attempts to estimate surface protonation equilibrium constants for solids from empirical correlations with aqueous equilibrium constants. Surface protonation constants should also not be estimated from correlations with only the Pauling bond strength because these neglect specific treatment of salvation. 92 refs., 14 figs., 4 tabs.

  10. Average and equilibrium structures of methyl flouride studied by electron diffraction. A joint analysis with rotational constants and cubic force constants

    Science.gov (United States)

    Egawa, Toru; Yamamoto, Satoshi; Nakata, Munetaka; Kuchitsu, Kozo

    1987-02-01

    Electron diffraction intensity of methyl fluoride was measured and analyzed jointly with the rotational constants, Ao and Bo, of the normal species. The following structure was derived: rg(CF) = 1.391(1) Å, rg(CH) = 1.108(1) Å and β z(FCH) = 108.7(2)°, where the numbers in parentheses represent estimated limits of error. The effective anharmonic constants were derived using the rotational constants and the l-type doubling constants; the cubic force constants calculated by Kondo using a 6-311G** (MP2) basis set were also incorporated in the analysis. The following equilibrium structure was derived from the rz structure and the effective anharmonic constants: re(CF) = 1.383(1) Å, re(CH) = 1.086(2) Å and β e(FCH) = 108.8(3)°.

  11. Extraction equilibrium of indium(III) from nitric acid solutions by di(2-ethylhexyl)phosphoric acid dissolved in kerosene.

    Science.gov (United States)

    Tsai, Hung-Sheng; Tsai, Teh-Hua

    2012-01-04

    The extraction equilibrium of indium(III) from a nitric acid solution using di(2-ethylhexyl) phosphoric acid (D2EHPA) as an acidic extractant of organophosphorus compounds dissolved in kerosene was studied. By graphical and numerical analysis, the compositions of indium-D2EHPA complexes in organic phase and stoichiometry of the extraction reaction were examined. Nitric acid solutions with various indium concentrations at 25 °C were used to obtain the equilibrium constant of InR₃ in the organic phase. The experimental results showed that the extraction distribution ratios of indium(III) between the organic phase and the aqueous solution increased when either the pH value of the aqueous solution and/or the concentration of the organic phase extractant increased. Finally, the recovery efficiency of indium(III) in nitric acid was measured.

  12. Constraining supernova equations of state with equilibrium constants from heavy-ion collisions

    CERN Document Server

    Hempel, Matthias; Natowitz, Joseph; Röpke, Gerd; Typel, Stefan

    2015-01-01

    Cluster formation is a fundamental aspect of the equation of state (EOS) of warm and dense nuclear matter such as can be found in supernovae (SN). Similar matter can be studied in heavy-ion collisions (HIC). We use the experimental data of Qin et al. 2012 to test calculations of cluster formation and the role of in-medium modifications of cluster properties in SN EOSs. For the comparison between theory and experiment we use chemical equilibrium constants as the main observables. This reduces some of the systematic uncertainties and allows deviations from ideal gas behavior to be identified clearly. In the analysis, we carefully account for the differences between matter in SN and HIC. We find that, at the lowest densities, the experiment and all theoretical models are consistent with the ideal gas behavior. At higher densities ideal behavior is clearly ruled out and interaction effects have to be considered. The contributions of continuum correlations are of relevance in the virial expansion and remain a diff...

  13. Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations.

    Science.gov (United States)

    Tadano, T; Gohda, Y; Tsuneyuki, S

    2014-06-04

    A systematic method to calculate anharmonic force constants of crystals is presented. The method employs the direct-method approach, where anharmonic force constants are extracted from the trajectory of first-principles molecular dynamics simulations at high temperature. The method is applied to Si where accurate cubic and quartic force constants are obtained. We observe that higher-order correction is crucial to obtain accurate force constants from the trajectory with large atomic displacements. The calculated harmonic and anharmonic force constants are, then, combined with the Boltzmann transport equation (BTE) and non-equilibrium molecular dynamics (NEMD) methods in calculating the thermal conductivity. The BTE approach successfully predicts the lattice thermal conductivity of bulk Si, whereas NEMD shows considerable underestimates. To evaluate the linear extrapolation method employed in NEMD to estimate bulk values, we analyze the size dependence in NEMD based on BTE calculations. We observe strong nonlinearity in the size dependence of NEMD in Si, which can be ascribed to acoustic phonons having long mean-free-paths and carrying considerable heat. Subsequently, we also apply the whole method to a thermoelectric material Mg2Si and demonstrate the reliability of the NEMD method for systems with low thermal conductivities.

  14. Using Electrophoretic Mobility Shift Assays to Measure Equilibrium Dissociation Constants: GAL4-p53 Binding DNA as a Model System

    Science.gov (United States)

    Heffler, Michael A.; Walters, Ryan D.; Kugel, Jennifer F.

    2012-01-01

    An undergraduate biochemistry laboratory experiment is described that will teach students the practical and theoretical considerations for measuring the equilibrium dissociation constant (K[subscript D]) for a protein/DNA interaction using electrophoretic mobility shift assays (EMSAs). An EMSA monitors the migration of DNA through a native gel;…

  15. DETERMINATION OF ION EXCHANGE EQUILIBRIUM CONSTANTS FOR THE WEAK ACID CATION AND THE WEAK BASE ANION EXCHANGE RESINS

    Institute of Scientific and Technical Information of China (English)

    TAOZuyi; WANGChangshou

    1992-01-01

    The general procedure based on the potentiometric titration has developed.According to the procedure,the rational equilibrium constants of the ion exchange reactions RH/Na,RH/Ca,RH/Sr,RH/Ba for the weak acid cation exchange resin D725 and ROH/Cl for the weak base anion exchange resin D705 have been determined.

  16. The 'Densitometric Image Analysis Software' and its application to determine stepwise equilibrium constants from electrophoretic mobility shift assays.

    Science.gov (United States)

    van Oeffelen, Liesbeth; Peeters, Eveline; Nguyen Le Minh, Phu; Charlier, Daniël

    2014-01-01

    Current software applications for densitometric analysis, such as ImageJ, QuantityOne (BioRad) and the Intelligent or Advanced Quantifier (Bio Image) do not allow to take the non-linearity of autoradiographic films into account during calibration. As a consequence, quantification of autoradiographs is often regarded as problematic, and phosphorimaging is the preferred alternative. However, the non-linear behaviour of autoradiographs can be described mathematically, so it can be accounted for. Therefore, the 'Densitometric Image Analysis Software' has been developed, which allows to quantify electrophoretic bands in autoradiographs, as well as in gels and phosphorimages, while providing optimized band selection support to the user. Moreover, the program can determine protein-DNA binding constants from Electrophoretic Mobility Shift Assays (EMSAs). For this purpose, the software calculates a chosen stepwise equilibrium constant for each migration lane within the EMSA, and estimates the errors due to non-uniformity of the background noise, smear caused by complex dissociation or denaturation of double-stranded DNA, and technical errors such as pipetting inaccuracies. Thereby, the program helps the user to optimize experimental parameters and to choose the best lanes for estimating an average equilibrium constant. This process can reduce the inaccuracy of equilibrium constants from the usual factor of 2 to about 20%, which is particularly useful when determining position weight matrices and cooperative binding constants to predict genomic binding sites. The MATLAB source code, platform-dependent software and installation instructions are available via the website http://micr.vub.ac.be.

  17. Equilibrium study on the reactive liquid-liquid extraction of 4-cyanopyridine with 4-nonylphenol

    NARCIS (Netherlands)

    Bokhove, J.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    A liquid–liquid extraction equilibrium model was developed describing the extraction of aqueous 4-cyanopyridine with the reactive solvent 4-nonylphenol. The model describes the capacity of the solvent up to an equilibrium aqueous phase concentration of 20 g/L within a temperature interval of 25 to

  18. Kinetic and equilibrium studies of the removal of cadmium ions from acidic chloride solutions by hydrophobic pyridinecarboxamide extractants

    Energy Technology Data Exchange (ETDEWEB)

    Borowiak-Resterna, Aleksandra [Institute of Chemical Technology and Engineering, Poznan University of Technology, Pl. Marii Sklodowskiej-Curie 2, 60-965 Poznan (Poland); Cierpiszewski, Ryszard [Poznan University of Economics, Faculty of Commodity Science, al. Niepodleglosci 10, 61-875 Poznan (Poland); Prochaska, Krystyna, E-mail: Krystyna.Prochaska@put.poznan.pl [Institute of Chemical Technology and Engineering, Poznan University of Technology, Pl. Marii Sklodowskiej-Curie 2, 60-965 Poznan (Poland)

    2010-07-15

    Liquid-liquid extraction of cadmium(II) from acidic chloride solutions was carried out with alkyl derivatives of pyridinecarboxamide in toluene with addition of 2-ethylhexan-1-ol as modifier. Equilibrium as well as kinetic studies was performed. The kinetic studies of a Cd(II) extraction process were carried out with a Lewis cell having a constant interfacial area. Cadmium(II) concentration in the aqueous phases was determined by atomic absorption spectroscopy (Varian SPECTR AA800). The results of equilibrium experiments showed that cadmium(II) was quantitatively extracted with N,N-dihexylpyridine-3-carboxamide whereas the derivative N,N-dihexylpyridine-2-carboxamide was not able to transfer Cd(II) ions from the aqueous phase to the organic one. Thus, the kinetics of extraction and the initial extraction rate were examined only in the systems with N,N-dihexylpyridine-3-carboxamide. The obtained experimental data as well as the calculated values of mass transfer coefficients suggest that the investigated process of extraction of Cd(II) by means of pyridinecarboxamide as extractant occurs in the mixed diffusion-kinetic region. Moreover, the results of adsorption studies indicated that the extraction of Cd(II) with a hydrophobic extractant should be considered as an interfacial process.

  19. Vapor liquid equilibrium constants through a non-equation of state approach: methane-free aliphatic binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, T.H.; Thodos, G.

    1975-06-01

    Northwestern University developed an alternate method to help predict vapor-liquid equilibrium constants without an equation of state by using the fundamental properties associated with the pure-state components and the critical pressure of the mixture. The method consists of developing correlations to help predict K-constants for other aliphatic binary mixtures not containing methane from vapor-liquid equilibrium measurements available in the literature for the 3 binaries of the system ethane-butane-heptane. This approach was tested for 7 other binaries (ethane/n-hexane, propane/i-butane, propane/i-butane, propane/n-pentane, propane/i-pentane, poprane/n-decane, and propylene/i-butane). The K-values obtained displayed good agreement with experimental measurements, especially in the vicinity of the critical point.

  20. Tautomeric ratio and prototropic equilibrium constants of tenoxicam, a 1H and 13C NMR theoretical and experimental study.

    Science.gov (United States)

    Franco-Pérez, Marco; Moya-Hernández, Rosario; Rojas-Hernández, Alberto; Gutiérrez, Atilano; Gómez-Balderas, Rodolfo

    2011-11-24

    The determination of the micro-equilibrium prototropic constants is often a tough task when the tautomeric ratio favors one of the species or when the chemical exchange is not slow enough to allow the quantitative detection of the tautomeric species. There are just few experimental methods available to reveal the constants of the tautomeric micro-equilibriums; its applicability depends on the nature of the tautomeric system. A combination of experimental and quantum chemistry calculated (1)H and (13)C NMR chemical shifts is presented here to estimate the population of the species participating in the tautomeric equilibriums of the tenoxicam, an important anti-inflammatory drug. A multivariate fitting of a fraction-mol-weighted contribution model, for the NMR chemical shifts of the species in solution, was used to find the populations of the tautomers of tenoxicam. To consider and evaluate the effect of the solvent polarity on the tautomers' populations, experimental determinations were carried out in DMSO-d(6), in an equimolar DMSO-H(2)O mixture of deuterated solvents and in D(2)O. Additionally, by employing HYPNMR, it has been possible to refine the acid-base macroscopic constants of tenoxicam.

  1. The ‘Densitometric Image Analysis Software’ and Its Application to Determine Stepwise Equilibrium Constants from Electrophoretic Mobility Shift Assays

    Science.gov (United States)

    van Oeffelen, Liesbeth; Peeters, Eveline; Nguyen Le Minh, Phu; Charlier, Daniël

    2014-01-01

    Current software applications for densitometric analysis, such as ImageJ, QuantityOne (BioRad) and the Intelligent or Advanced Quantifier (Bio Image) do not allow to take the non-linearity of autoradiographic films into account during calibration. As a consequence, quantification of autoradiographs is often regarded as problematic, and phosphorimaging is the preferred alternative. However, the non-linear behaviour of autoradiographs can be described mathematically, so it can be accounted for. Therefore, the ‘Densitometric Image Analysis Software’ has been developed, which allows to quantify electrophoretic bands in autoradiographs, as well as in gels and phosphorimages, while providing optimized band selection support to the user. Moreover, the program can determine protein-DNA binding constants from Electrophoretic Mobility Shift Assays (EMSAs). For this purpose, the software calculates a chosen stepwise equilibrium constant for each migration lane within the EMSA, and estimates the errors due to non-uniformity of the background noise, smear caused by complex dissociation or denaturation of double-stranded DNA, and technical errors such as pipetting inaccuracies. Thereby, the program helps the user to optimize experimental parameters and to choose the best lanes for estimating an average equilibrium constant. This process can reduce the inaccuracy of equilibrium constants from the usual factor of 2 to about 20%, which is particularly useful when determining position weight matrices and cooperative binding constants to predict genomic binding sites. The MATLAB source code, platform-dependent software and installation instructions are available via the website http://micr.vub.ac.be. PMID:24465496

  2. The 'Densitometric Image Analysis Software' and its application to determine stepwise equilibrium constants from electrophoretic mobility shift assays.

    Directory of Open Access Journals (Sweden)

    Liesbeth van Oeffelen

    Full Text Available Current software applications for densitometric analysis, such as ImageJ, QuantityOne (BioRad and the Intelligent or Advanced Quantifier (Bio Image do not allow to take the non-linearity of autoradiographic films into account during calibration. As a consequence, quantification of autoradiographs is often regarded as problematic, and phosphorimaging is the preferred alternative. However, the non-linear behaviour of autoradiographs can be described mathematically, so it can be accounted for. Therefore, the 'Densitometric Image Analysis Software' has been developed, which allows to quantify electrophoretic bands in autoradiographs, as well as in gels and phosphorimages, while providing optimized band selection support to the user. Moreover, the program can determine protein-DNA binding constants from Electrophoretic Mobility Shift Assays (EMSAs. For this purpose, the software calculates a chosen stepwise equilibrium constant for each migration lane within the EMSA, and estimates the errors due to non-uniformity of the background noise, smear caused by complex dissociation or denaturation of double-stranded DNA, and technical errors such as pipetting inaccuracies. Thereby, the program helps the user to optimize experimental parameters and to choose the best lanes for estimating an average equilibrium constant. This process can reduce the inaccuracy of equilibrium constants from the usual factor of 2 to about 20%, which is particularly useful when determining position weight matrices and cooperative binding constants to predict genomic binding sites. The MATLAB source code, platform-dependent software and installation instructions are available via the website http://micr.vub.ac.be.

  3. Kinetic and equilibrium constants of phytic acid and ferric and ferrous phytate derived from nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Heighton, Lynne; Schmidt, Walter F; Siefert, Ronald L

    2008-10-22

    Inositol phosphates are metabolically derived organic phosphates (P) that increasingly appear to be an important sink and source of P in the environment. Salts of myo-inositol hexakisdihydrogen phosphate (IHP) or more commonly phytate are the most common inositol phosphates in the environment. IHP resists acidic dephosphorylation and enzymatic dephosphorylation as ferric or ferrous IHP. Mobility of IHP iron complexes is potentially pH and redox responsive, making the time scale and environmental fate and transport of the P associated with the IHP of interest to the mass balance of phosphorus. Ferric and ferrous complexes of IHP were investigated by proton nuclear magnetic resonance spectroscopy ( (1)H NMR) and enzymatic dephosphorylation. Ferrous IHP was found to form quickly and persist for a longer period then ferric IHP. Dissociation constants derived from (1)H NMR experiments of chemically exchanging systems at equilibrium were 1.11 and 1.19 and formation constants were 0.90 and 0.84 for ferric and ferrous IHP, respectively. The recovery of P from enzymatic dephosphorylation of ferric and ferrous IHP was consistent with the magnitude of the kinetic and equilibrium rate constants.

  4. Toward Improving Atmospheric Models and Ozone Projections: Laboratory UV Absorption Cross Sections and Equilibrium Constant of ClOOCl

    Science.gov (United States)

    Wilmouth, D. M.; Klobas, J. E.; Anderson, J. G.

    2015-12-01

    Thirty years have now passed since the discovery of the Antarctic ozone hole, and despite comprehensive international agreements being in place to phase out CFCs and halons, polar ozone losses generally remain severe. The relevant halogen compounds have very long atmospheric lifetimes, which ensures that seasonal polar ozone depletion will likely continue for decades to come. Changes in the climate system can further impact stratospheric ozone abundance through changes in the temperature and water vapor structure of the atmosphere and through the potential initiation of solar radiation management efforts. In many ways, the rate at which climate is changing must now be considered fast relative to the slow removal of halogens from the atmosphere. Photochemical models of Earth's atmosphere play a critical role in understanding and projecting ozone levels, but in order for these models to be accurate, they must be built on a foundation of accurate laboratory data. ClOOCl is the centerpiece of the catalytic cycle that accounts for more than 50% of the chlorine-catalyzed ozone loss in the Arctic and Antarctic stratosphere every spring, and so uncertainties in the ultraviolet cross sections of ClOOCl are particularly important. Additionally, the equilibrium constant of the dimerization reaction of ClO merits further study, as there are important discrepancies between in situ measurements and lab-based models, and the JPL-11 recommended equilibrium constant includes high error bars at atmospherically relevant temperatures (~75% at 200 K). Here we analyze available data for the ClOOCl ultraviolet cross sections and equilibrium constant and present new laboratory spectroscopic results.

  5. Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions.

    Science.gov (United States)

    Engelmann, Yannick; Bogaerts, Annemie; Neyts, Erik C

    2014-10-21

    Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.

  6. Equilibrium theory analysis of liquid chromatography with non-constant velocity.

    Science.gov (United States)

    Ortner, Franziska; Joss, Lisa; Mazzotti, Marco

    2014-12-19

    In liquid chromatography, adsorption and desorption lead to velocity variations within the column if the adsorbing compounds make up a high volumetric ratio of the mobile phase and if there is a substantial difference in the adsorption capacities. An equilibrium theory model for binary systems accounting for these velocity changes is derived and solved analytically for competitive Langmuir isotherms. Characteristic properties of concentration and velocity profiles predicted by the derived model are illustrated by two exemplary systems. Applicability of the model equations for the estimation of isotherm parameters from experimental data is investigated, and accurate results are obtained for systems with one adsorbing and one inert compound, as well as for systems with two adsorbing compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics

    CERN Document Server

    Jesudason, C G

    2006-01-01

    The rates or formation and concentration distributions of a dimer reaction showing hysteresis behavior are examined in an ab initio chemical reaction designed as elementary and where the hysteresis structure precludes the formation of transition states (TS) with pre-equilibrium and internal sub-reactions. It was discovered that the the reactivity coefficients, defined as a measure of departure from the zero density rate constant for the forward and backward steps had a ratio that was equal to the activity coefficient ratio for the product and reactant species. From the above observations, a theory is developed with the aid of some proven elementary theorems in thermodynamics, and expressions are derived whereby a feasible experimental and computational method for determining the activity coefficients from the rate constants may be obtained The theory developed is applied to ionic reactions where the standard Bronsted-Bjerrum rate equation and exceptions to this are rationalized, and by viewing ion association...

  8. Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

    Directory of Open Access Journals (Sweden)

    C. Wang

    2017-06-01

    Full Text Available Gas–particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA. The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas–organic and gas–aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC, and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas–organic phase partitioning coefficients (KWIOM/G by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas–aqueous partitioning (KW/G are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

  9. Equilibrium Star Formation In A Constant Q Disk: Model Optimisation and Initial Tests

    CERN Document Server

    Zheng, Zheng; Heckman, Timothy; Thilker, David; Zwaan, Martin

    2013-01-01

    We develop a model for the distribution of the ISM and star formation in galaxies based on recent studies that indicate that galactic disks stabilise to a constant stability parameter, which we combine with prescriptions of how the phases of the ISM are determined and for the Star Formation Law (SFL). The model predicts the gas surface mass density and star formation intensity of a galaxy given its rotation curve, stellar surface mass density and the gas velocity dispersion. This model is tested on radial profiles of neutral and molecular ISM surface mass density and star formation intensity of 12 galaxies selected from the THINGS sample. Our tests focus on intermediate radii. Nevertheless, the model produces reasonable agreement with ISM mass and star formation rate integrated over the central region in all but one case. To optimise the model, we evaluate four recipes for the stability parameter, three recipes for apportioning the ISM into molecular and neutral components, and eight versions of the SFL. We f...

  10. Determine equilibrium dissociation constant of drug-membrane receptor affinity using the cell membrane chromatography relative standard method.

    Science.gov (United States)

    Ma, Weina; Yang, Liu; Lv, Yanni; Fu, Jia; Zhang, Yanmin; He, Langchong

    2017-06-23

    The equilibrium dissociation constant (KD) of drug-membrane receptor affinity is the basic parameter that reflects the strength of interaction. The cell membrane chromatography (CMC) method is an effective technique to study the characteristics of drug-membrane receptor affinity. In this study, the KD value of CMC relative standard method for the determination of drug-membrane receptor affinity was established to analyze the relative KD values of drugs binding to the membrane receptors (Epidermal growth factor receptor and angiotensin II receptor). The KD values obtained by the CMC relative standard method had a strong correlation with those obtained by the frontal analysis method. Additionally, the KD values obtained by CMC relative standard method correlated with pharmacological activity of the drug being evaluated. The CMC relative standard method is a convenient and effective method to evaluate drug-membrane receptor affinity. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Optimization of Electrospray Ionization by Statistical Design of Experiments and Response Surface Methodology: Protein-Ligand Equilibrium Dissociation Constant Determinations

    Science.gov (United States)

    Pedro, Liliana; Van Voorhis, Wesley C.; Quinn, Ronald J.

    2016-09-01

    Electrospray ionization mass spectrometry (ESI-MS) binding studies between proteins and ligands under native conditions require that instrumental ESI source conditions are optimized if relative solution-phase equilibrium concentrations between the protein-ligand complex and free protein are to be retained. Instrumental ESI source conditions that simultaneously maximize the relative ionization efficiency of the protein-ligand complex over free protein and minimize the protein-ligand complex dissociation during the ESI process and the transfer from atmospheric pressure to vacuum are generally specific for each protein-ligand system and should be established when an accurate equilibrium dissociation constant (KD) is to be determined via titration. In this paper, a straightforward and systematic approach for ESI source optimization is presented. The method uses statistical design of experiments (DOE) in conjunction with response surface methodology (RSM) and is demonstrated for the complexes between Plasmodium vivax guanylate kinase ( PvGK) and two ligands: 5'-guanosine monophosphate (GMP) and 5'-guanosine diphosphate (GDP). It was verified that even though the ligands are structurally similar, the most appropriate ESI conditions for KD determination by titration are different for each.

  12. Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol-dimethylamine complex.

    Science.gov (United States)

    Du, Lin; Mackeprang, Kasper; Kjaergaard, Henrik G

    2013-07-07

    We have measured gas phase vibrational spectra of the bimolecular complex formed between methanol (MeOH) and dimethylamine (DMA) up to about 9800 cm(-1). In addition to the strong fundamental OH-stretching transition we have also detected the weak second overtone NH-stretching transition. The spectra of the complex are obtained by spectral subtraction of the monomer spectra from spectra recorded for the mixture. For comparison, we also measured the fundamental OH-stretching transition in the bimolecular complex between MeOH and trimethylamine (TMA). The enthalpies of hydrogen bond formation (ΔH) for the MeOH-DMA and MeOH-TMA complexes have been determined by measurements of the fundamental OH-stretching transition in the temperature range from 298 to 358 K. The enthalpy of formation is found to be -35.8 ± 3.9 and -38.2 ± 3.3 kJ mol(-1) for MeOH-DMA and MeOH-TMA, respectively, in the 298 to 358 K region. The equilibrium constant (Kp) for the formation of the MeOH-DMA complex has been determined from the measured and calculated transition intensities of the OH-stretching fundamental transition and the NH-stretching second overtone transition. The transition intensities were calculated using an anharmonic oscillator local mode model with dipole moment and potential energy curves calculated using explicitly correlated coupled cluster methods. The equilibrium constant for formation of the MeOH-DMA complex was determined to be 0.2 ± 0.1 atm(-1), corresponding to a ΔG value of about 4.0 kJ mol(-1).

  13. Chromium and zinc uptake by algae Gelidium and agar extraction algal waste: kinetics and equilibrium.

    Science.gov (United States)

    Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

    2007-11-19

    Biosorption of chromium and zinc ions by an industrial algal waste, from agar extraction industry has been studied in a batch system. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction, and the industrial waste immobilized with polyacrylonitrile (composite material). Langmuir and Langmuir-Freundlich equilibrium models describe well the equilibrium data. The parameters of Langmuir equilibrium model at pH 5.3 and 20 degrees C were for the algae, q(L)=18 mg Cr(III)g(-1) and 13 mgZn(II)g(-1), K(L) = 0.021l mg(-1)Cr(III) and 0.026l mg(-1) Zn(II); for the algal waste, q(L)=12 mgCr(III)g(-1) and 7mgZn(II)g(-1), K(L)=0.033lmg(-1) Cr(III) and 0.042l mg(-1) Zn(II); for the composite material, q(L) = 9 mgCr(III)g(-1) and 6 mgZn(II)g(-1), K(L)=0.032l mg(-1)Cr(III) and 0.034l mg(-1)Zn(II). The biosorbents exhibited a higher preference for Cr(III) ions and algae Gelidium is the best one. The pseudo-first-order Lagergren and pseudo-second-order models fitted well the kinetic data for the two metal ions. Kinetic constants and equilibrium uptake concentrations given by the pseudo-second-order model for an initial Cr(III) and Zn(II) concentration of approximately 100 mgl(-1), at pH 5.3 and 20 degrees C were k(2,ads)=0.04 g mg(-1)Cr(III)min(-1) and 0.07 g mg(-1)Zn(II)min(-1), q(eq)=11.9 mgCr(III)g(-1) and 9.5 mgZn(II)g(-1) for algae; k(2,ads)=0.17 g mg(-1)Cr(III)min(-1) and 0.19 g mg(-1)Zn(II)min(-1), q(eq)=8.3 mgCr(III)g(-1) and 5.6 mgZn(II)g(-1) for algal waste; k(2,ads)=0.01 g mg(-1)Cr(III)min(-1) and 0.18 g mg(-1)Zn(II)min(-1), q(eq)=8.0 mgCr(III)g(-1) and 4.4 mgZn(II)g(-1) for composite material. Biosorption was modelled using a batch adsorber mass transfer kinetic model, which successfully predicts Cr(III) and Zn(II) concentration profiles. The calculated average homogeneous diffusivities, D(h), were 4.2 x 10(-8), 8.3 x 10(-8) and 1.4 x 10(-8)cm(2)s(-1) for Cr(III) and 4.8 x 10(-8), 9.7 x 10(-8) and 6.2 x 10(-8)cm(2)s(-1

  14. Colorimetric Determination of the Iron(III)-Thiocyanate Reaction Equilibrium Constant with Calibration and Equilibrium Solutions Prepared in a Cuvette by Sequential Additions of One Reagent to the Other

    Science.gov (United States)

    Nyasulu, Frazier; Barlag, Rebecca

    2011-01-01

    The well-known colorimetric determination of the equilibrium constant of the iron(III-thiocyanate complex is simplified by preparing solutions in a cuvette. For the calibration plot, 0.10 mL increments of 0.00100 M KSCN are added to 4.00 mL of 0.200 M Fe(NO[subscript 3])[subscript 3], and for the equilibrium solutions, 0.50 mL increments of…

  15. Extraction equilibrium of indium(III) from nitric acid solutions by di(2-ethylhexyl)phosphoric acid dissolved in kerosene

    National Research Council Canada - National Science Library

    Tsai, Hung-Sheng; Tsai, Teh-Hua

    2012-01-01

    The extraction equilibrium of indium(III) from a nitric acid solution using di(2-ethylhexyl) phosphoric acid (D2EHPA) as an acidic extractant of organophosphorus compounds dissolved in kerosene was studied...

  16. Separation of cobalt and nickel by non-equilibrium solvent extraction

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The separation of cobalt and nickel in the ammoniacal sulfate solution by non-equilibrium solvent extraction with a phosphate (P303) as extractant was studied. In the experiment, the effects of equilibrium pH value in aqueous phase, contact time of the two phases, the air-blowing time for feed liquor in the open beaker on percentage extraction of cobalt and nickel and percentage reextraction of nickel from the loaded organic phase with dilute H2SO4. etc were studied. The results showed that: Co(Ⅱ) can be oxidized to Co(Ⅲ)-ammino-complex by adding (NH4)2S2O8 or blowing air to the aqueous phase, and Co(Ⅲ)-ammino-complex is a kind of kinetically inert complex. Its extractive speed is very slow, while the nickel′s is much faster than that of cobalt. By controlling the contact time of the two phases, nickel can be separated from cobalt by non-equilibrium solvent extraction. Then nickel was reextracted from the loaded organic phase with dilute H2SO4.

  17. Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry

    Energy Technology Data Exchange (ETDEWEB)

    Vilar, Vitor J.P. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Botelho, Cidalia M.S. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Boaventura, Rui A.R. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal)]. E-mail: bventura@fe.up.pt

    2007-05-08

    Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mg l{sup -1} and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D {sub h}, are 3.6 x 10{sup -8}; 6.1 x 10{sup -8} and 2.4 x 10{sup -8} cm{sup 2} s{sup -1}, respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium.

  18. Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry.

    Science.gov (United States)

    Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

    2007-05-08

    Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mgl(-1) and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D(h), are 3.6 x 10(-8); 6.1 x 10(-8) and 2.4 x 10(-8)cm(2)s(-1), respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium.

  19. A re-evaluation of the ClO/Cl2O2 equilibrium constant based on stratospheric in-situ observations

    Directory of Open Access Journals (Sweden)

    M. von Hobe

    2005-01-01

    Full Text Available In-situ measurements of ClO and its dimer carried out during the SOLVE II/VINTERSOL-EUPLEX and ENVISAT Validation campaigns in the Arctic winter 2003 suggest that the thermal equilibrium between the dimer formation and dissociation is shifted significantly towards the monomer compared to the current JPL 2002 recommendation. Detailed analysis of observations made in thermal equilibrium allowed to re-evaluate the magnitude and temperature dependence of the equilibrium constant. A fit of the JPL format for equilibrium constants yields KEQ=3.61x10-27exp(8167/T, but to reconcile the observations made at low temperatures with the existing laboratory studies at room temperature, a modified equation, KEQ=5.47x10-25(T/300-2.29exp(6969/T, is required. This format can be rationalised by a strong temperature dependence of the reaction enthalpy possibly induced by Cl2O2 isomerism effects. At stratospheric temperatures, both equations are practically equivalent. Using the equilibrium constant reported here rather than the JPL 2002 recommendation in atmospheric models does not have a large impact on simulated ozone loss. Solely at large zenith angles after sunrise, a small decrease of the ozone loss rate due to the ClO dimer cycle and an increase due to the ClO-BrO cycle (attributed to the enhanced equilibrium ClO concentrations is observed, the net effect being a slightly stronger ozone loss rate.

  20. Optimal cuts to extract the third-order elastic constants of langasite single crystals.

    Science.gov (United States)

    Zhang, Haifeng

    2011-06-01

    Optimal cuts to determine the third-order elastic constants of langasite single crystals by the resonator method are proposed. By designing a small number of langasite resonators with optimal cut angles and measuring their force-frequency effects, the third-order elastic constants of langasite single crystals may be extracted separately. The numerical method to search for these optimal cut angles is presented. All 14 third-order elastic constants may be determined through a series of experimental measurements. This method will simplify traditional methods used to determine the third-order elastic constants and could potentially produce more accurate results.

  1. A hetero retro Diels-Alder reaction in aqueous solution : A dramatic water-induced increase of the equilibrium constant and inhibition of cycloreversion

    NARCIS (Netherlands)

    Wijnen, J.W; Engberts, J.B.F.N.

    1997-01-01

    The adduct of the Diels-Alder reaction of nitrosobenzene with cyclopentadiene is not stable in solution. The equilibrium constant for the reaction depends strongly on the medium and water induces a spectacular shift to the adduct. Comparison with the bimolecular addition of nitrosobenzene to 1,3-cyc

  2. Understanding Chemical Equilibrium Using Entropy Analysis: The Relationship between [delta]S[subscript tot](sys[superscript o]) and the Equilibrium Constant

    Science.gov (United States)

    Bindel, Thomas H.

    2010-01-01

    Entropy analyses as a function of the extent of reaction are presented for a number of physicochemical processes, including vaporization of a liquid, dimerization of nitrogen dioxide, and the autoionization of water. Graphs of the total entropy change versus the extent of reaction give a visual representation of chemical equilibrium and the second…

  3. The extraction constant of mercury(II) o-o'-dimethyldithizonate into toluene

    NARCIS (Netherlands)

    Jütte, B.A.H.G.; Agterdenbos, J.; Welle, R.A. van der

    An attempt was made to determine spectrophotometrically the extraction constant of mercury(II) o-o'-dimethyldithizonate into toluene by means of a known excess of iodide as a masking agent. The results found, however, could not be explained by a simple reaction between mercury(II)

  4. Equilibrium Studies on Enantioselective Liquid-Liquid Amino Acid Extraction Using a Cinchona Alkaloid Extractant

    NARCIS (Netherlands)

    Schuur, Boelo; Winkelman, Jozef G. M.; Heeres, Hero J.

    2008-01-01

    The enantioselective extraction of aqueous 3,5-dinitrobenzoyl-R,S-leucine (A(R,S)) by a cinchona alkaloid extractant (C) in 1,2-dichloroethane was studied at room temperature (294 K) in a batch system for a range of intake concentrations (10(-4)-10(-3) mol/L) and pH values (3.8-6.6). The experimenta

  5. A re-evaluation of the ClO/Cl2O2 equilibrium constant based on stratospheric in-situ observations

    Directory of Open Access Journals (Sweden)

    F. Stroh

    2004-09-01

    Full Text Available In-situ measurements of ClO and its dimer carried out during the SOLVE II/VINTERSOL-EUPLEX and ENVISAT Validation campaigns in the Arctic winter 2003 suggest that the thermal equilibrium between the dimer formation and dissociation is shifted significantly towards the monomer compared to the current JPL 2002 recommendation. Detailed analysis of observations made in thermal equilibrium was used to re-evaluate the magnitude and temperature dependence of the equilibrium constant. A fit of the JPL format for equilibrium constants yields KEQ=4.06×10−23exp(6201/T, but to reconcile the observations made at low temperatures with the existing laboratory studies at room temperature, a modified equation, KEQ=2.31×10−13(T/300−34.9exp( −1118/T, is required. This format can be rationalised by a strong temperature dependence of the reaction enthalpy possibly induced by Cl2O2 isomerism effects. At stratospheric temperatures, both equations are practically equivalent. Using the equilibrium constant reported here rather than the JPL 2002 recommendation in atmospheric models does not have a large impact on simulated ozone loss. Solely at large zenith angles after sunrise, a small decrease of the ozone loss rate due to the ClO dimer cycle and an increase due to the ClO-BrO cycle (attributed to the enhanced equilibrium ClO concentrations is observed, the net effect being a slightly stronger ozone loss rate. The effects of Cl2O2 isomerism are not studied in detail, but the presence of isomers other than ClOOCl would be expected to lead to reduced ozone loss.

  6. Extractive efficacy of microwave synthesized zeolitic material for acephate: Equilibrium and kinetics

    Directory of Open Access Journals (Sweden)

    Shah Bhavna A.

    2013-01-01

    Full Text Available Present investigation deals with the utilization of Bagasse fly ash (BFA a sugar industry waste and Zeolitic material (MZBFA, synthesized from BFA by combined conventional and microwave reflux method as adsorbents for the extraction of Acephate (ACP, an organophosphorus pesticide from aqueous solution. The synthesized adsorbents were characterized using various techniques such as FTIR, PXRD and SEM. The effect of various experimental parameters has been investigated using a batch adsorption technique for the extraction of ACP. The extent of removal is increased with decrease in initial ACP concentration and particle size of the adsorbent. Adsorption was fast and the equilibrium was established within 90 min. Pseudo-first-order, Pseudo-second-order, Bangham and intra-particle particle diffusion models were used to fit the experimental data. Pseudo-second-order rate equation was able to provide realistic description of adsorption kinetics. Equilibrium isotherms were analyzed by Freundlich, Langmuir, Dubinin-Radushkevich and Tempkin isotherm equations. Langmuir equation was found to best represent the equilibrium data. The thermodynamic study showed that adsorption of ACP on MZBFA is higher than that on BFA. The results indicate that such Zeolitic material could be employed as low cost alternatives to Bagasse fly ash in wastewater treatment for the removal of pesticides.

  7. Liquid-liquid equilibrium extraction of ethanol with mixed solvent for bioethanol concentration

    Institute of Scientific and Technical Information of China (English)

    Hiroaki Habaki; Haihao Hu; Ryuichi Egashira

    2016-01-01

    The extraction of ethanol with the solvents of aldehydes mixed with m-xylene was studied for the bioethanol concentration process. Furfural and benzaldehyde were selected as extraction solvents, with which the solubility of water is smal , expecting large distribution coefficient of ethanol. The liquid–liquid two-phase region was the largest with m-xylene solvent, followed by benzaldehyde and furfural. The region of two liquid–liquid phase be-came larger with the mixed solvent of m-xylene and furfural than that with furfural solvent. The NRTL model was applied to the ethanol–water–furfural–m-xylene system, and the model could well express the liquid–liquid equilibrium of the system. For any solvent used in this study, the separation selectivity of ethanol relative to water decreased as the distribution coefficient of ethanol increased. The separation selectivity with m-xylene was the largest among the employed solvents, but the distribution coefficient was the smal est. The solvent mix-ture of furfural and m-xylene showed relatively high distribution coefficient of ethanol and separation selectivity, even in the higher mass fraction of m-xylene in the solvent phase. The ethanol extraction with a countercurrent multistage extractor by a continuous operation was simulated to evaluate the extraction performance. The ethanol content could be concentrated in the extract phase with relatively small number of extraction stages but low yield of ethanol was obtained.

  8. Equilibrium and kinetic modelling of Cd(II) biosorption by algae Gelidium and agar extraction algal waste.

    Science.gov (United States)

    Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

    2006-01-01

    In this study an industrial algal waste from agar extraction has been used as an inexpensive and effective biosorbent for cadmium (II) removal from aqueous solutions. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction. Equilibrium data follow both Langmuir and Redlich-Peterson models. The parameters of Langmuir equilibrium model are q(max)=18.0 mgg(-1), b=0.19 mgl(-1) and q(max)=9.7 mgg(-1), b=0.16 mgl(-1), respectively for Gelidium and the algal waste. Kinetic experiments were conducted at initial Cd(II) concentrations in the range 6-91 mgl(-1). Data were fitted to pseudo-first- and second-order Lagergren models. For an initial Cd(II) concentration of 91 mgl(-1) the parameters of the pseudo-first-order Lagergren model are k(1,ads)=0.17 and 0.87 min(-1); q(eq)=16.3 and 8.7 mgg(-1), respectively, for Gelidium and algal waste. Kinetic constants vary with the initial metal concentration. The adsorptive behaviour of biosorbent particles was modelled using a batch reactor mass transfer kinetic model. The model successfully predicts Cd(II) concentration profiles and provides significant insights on the biosorbents performance. The homogeneous diffusivity, D(h), is in the range 0.5-2.2 x10(-8) and 2.1-10.4 x10(-8)cm(2)s(-1), respectively, for Gelidium and algal waste.

  9. Quantifying Na(I)-insulin and K(I)-insulin non-covalent complexes by ESI-MS method and calculation of their equilibrium constants.

    Science.gov (United States)

    Gülfen, Mustafa; Özdemir, Abdil; Lin, Jung-Lee; Chen, Chung-Hsuan

    2017-10-01

    In this study, the dissociation and formation equilibrium constants of Na(I)-insulin and K(I)-insulin complexes have been calculated after the quantifying them on ESI mass spectrometer. The ESI-MS spectra of the complexes were measured by using the solvents as 50% MeOH in water and 100% water. The effect of pH on the Na(I)-insulin and K(I)-insulin complex formation were examined. Serial binding of Na(I) and K(I) ions to the insulin molecule were observed in the ESI-MS measurements. The first formation equilibrium constants were calculated as Kf1: 5.48×10(3) 1/M for Na(I)-insulin complex and Kf1: 4.87×10(3) 1/M for K(I)-insulin in water. The binding capability of Na(I) ions to insulin molecule is higher than the capability of K(I) ions. In case of a comparison together with Ca(II)-insulin and Mg(II)-insulin, the formation equilibrium constants (Kf1) are in order of Ca(II)-insulin>Mg(II)-insulin>Na(I)-insulin>K(I)-insulin in water. The results showed that Na(I) and K(I) ions are involved in the formation of the non-covalent complexes with insulin molecule, since high extracellular and intracellular concentrations of them in the body. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Extraction of Sodium Picrate by 3m-Crown-m Ethers and Their Monobenzo Derivatives (m = 5, 6 into Benzene: Estimation of Their Equilibrium-Potential Differences at the Less-Polar Diluent/Water Interface by an Extraction Method

    Directory of Open Access Journals (Sweden)

    Yoshihiro Kudo

    2016-01-01

    Full Text Available Individual distribution constants (KD,A of picrate ion (Pic− and extraction constants (Kex± of NaPic by some crown ethers (L into benzene (Bz at 25°C were calculated from data reported previously. These constants were defined as KD,Pic=Pic-o/[Pic-] and Kex±=NaL+oPic-o/(Na+Lo[Pic-], respectively. Here, the subscript “o” denotes an organic (o phase and practically o = Bz. 15-Crown-5 ether (15C5, 18-crown-6 one (18C6, and their monobenzo (B derivatives (B15C5 and B18C6 were selected as L. Interfacial equilibrium-potential differences (Δϕeq at extraction were estimated at 298 K. A plot of log⁡Kex± versus -Δϕeq for the four L extraction systems gave a straight line with slope = 84 V−1. This slope was compared with those, reported before, of the dichloromethane (DCM, 1,2-dichloroethane (DCE, and nitrobenzene (NB extraction systems. The slopes of the regression lines were in the order NB < DCM ≤ DCE < Bz. Also, the individual distribution constants of the complex ion NaL+ and an ion-pair complex (NaL+Pic- into Bz phase were calculated from the above extraction data. At least, a comparison between these values suggests that Bz molecules mainly interact with NaL+ moiety of NaL+Pic-.

  11. Optimal cuts to extract the third-order piezoelectric constants and electrostictive constants of langasite single crystals through the electroelastic effect.

    Science.gov (United States)

    Zhang, Haifeng

    2013-07-01

    Optimal cuts to determine the third-order piezoelectric constants and electrostrictive constants of langasite single crystals by the resonator method are proposed. By selecting several langasite resonators with optimal cut angles and measuring their electroelastic effects, third-order piezoelectric constants and electrostrictive constants of langasite single crystals may be extracted. The numerical method to search these optimal cut angles is presented. The methodology has been validated by finite element analysis. This method will simplify traditional methods used to determine the third-order piezoelectric and electrostrictive constants for langasite single crystals and could potentially produce more accurate results. The method could also be used to determine the third-order piezoelectric and electrostrictive constants for other crystals with trigonal 32 symmetry.

  12. Copper removal by algae Gelidium, agar extraction algal waste and granulated algal waste: kinetics and equilibrium.

    Science.gov (United States)

    Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

    2008-03-01

    Biosorption of copper ions by an industrial algal waste, from agar extraction industry has been studied in a batch system. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction, and the industrial waste immobilized with polyacrylonitrile (composite material). The effects of contact time, pH, ionic strength (IS) and temperature on the biosorption process have been studied. Equilibrium data follow both Langmuir and Langmuir-Freundlich models. The parameters of Langmuir equilibrium model were: q(max)=33.0mgg(-1), K(L)=0.015mgl(-1); q(max)=16.7mgg(-1), K(L)=0.028mgl(-1) and q(max)=10.3mgg(-1), K(L)=0.160mgl(-1) respectively for Gelidium, algal waste and composite material at pH=5.3, T=20 degrees C and IS=0.001M. Increasing the pH, the number of deprotonated active sites increases and so the uptake capacity of copper ions. In the case of high ionic strengths, the contribution of the electrostatic component to the overall binding decreases, and so the uptake capacity. The temperature has little influence on the uptake capacity principally for low equilibrium copper concentrations. Changes in standard enthalpy, Gibbs energy and entropy during biosorption were determined. Kinetic data at different solution pH (3, 4 and 5.3) were fitted to pseudo-first-order and pseudo-second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch reactor mass transfer kinetic model, which successfully predicts Cu(II) concentration profiles.

  13. Equilibrium of Extraction of Succinic, Malic, Maleic and Fumaric Acids with Trioctylamine%三辛胺萃取丁二酸、苹果酸、马来酸、富马酸特性的研究

    Institute of Scientific and Technical Information of China (English)

    李振宇; 秦炜; 汪敏; 黄焱; 戴猷元

    2002-01-01

    Extraction equilibrium features of succinic acid, malic acid, maleic acid and fumaric acid were investigated systematically with trioctylamine (TOA) in chloroform, 4-methyl-2-pentanone (MIBK) and 1-octanol. Fourier transform-infrared (FTIR) spectroscopic analysis of organic samples loaded with the acid shows that amine forms 1:1 complex of ion-pair association with succinic acid, malic acid and maleic acid, and 1:1, 2:1 complex of ion-pair association with fumaric acid. It is proposed that the complex forms depend on the second dissociation constant of the dibasic acid, pKa2. Results of equilibrium experiments show that diluents affect extraction behavior, and depend on the solute concentration. Protic diluents, chloroform and 1-octanol, are more effective than the others when the equilibrium solute concentration is lower than 1:1 stoichiometry of TOA to acid, otherwise the extraction ability shows that MIBK>l-octanol>chloroform for malic and maleic acids, and 1-octanol>MIBK>chloroform for succinic acid. Overloading (solute concentration in organic phase is lager than TOA concentration) appears for all of the studied acids, and the sequence of overloading amount is the same as that of distribution constant of diluent. The results show that the sequence of extraction ability of different acid is the same as that of acidity at low equilibrium solute concentrations, while it is the same as the sequence of hydrophobicity at high equilibrium concentrations.

  14. On the use of different dielectric constants for computing individual and pairwise terms in poisson-boltzmann studies of protein ionization equilibrium.

    Science.gov (United States)

    Teixeira, Vitor H; Cunha, Carlos A; Machuqueiro, Miguel; Oliveira, A Sofia F; Victor, Bruno L; Soares, Cláudio M; Baptista, António M

    2005-08-04

    Poisson-Boltzmann (PB) models are a fast and common tool for studying electrostatic processes in proteins, particularly their ionization equilibrium (protonation and/or reduction), often yielding quite good results when compared with more detailed models. Yet, they are conceptually very simple and necessarily approximate, their empirical character being most evident when it comes to the choice of the dielectric constant assigned to the protein region. The present study analyzes several factors affecting the ability of PB-based methods to model protein ionization equilibrium. We give particular attention to a suggestion made by Warshel and co-workers (e.g., Sham et al. J. Phys. Chem. B 1997, 101, 4458) of using different protein dielectric constants for computing the individual (site) and the pairwise (site-site) terms of the ionization free energies. Our prediction of pK(a) values for several proteins indicates that no advantage is obtained by such a procedure, even for sites that are buried and/or display large pK(a) shifts relative to the solution values. In particular, the present methodology gives the best predictions using a dielectric constant around 20, for shifted/buried and nonshifted/exposed sites alike. The similarities and differences between the PB model and Warshel's PDLD/S model are discussed, as well as the reasons behind their apparently discrepant results. The present PB model is shown to predict also good reduction potentials in redox proteins.

  15. Intermittent counter-current extraction-Equilibrium cell model, scaling and an improved bobbin design.

    Science.gov (United States)

    Hewitson, Peter; Sutherland, Ian; Kostanyan, Artak E; Voshkin, Andrei A; Ignatova, Svetlana

    2013-08-16

    This paper describes an equilibrium cell model for intermittent counter-current extraction that is analytically solved for the first time for continuous sample injection between a pair of columns. The model is compared with practice for injections of a model mixture of compounds on a standard high-performance counter-current chromatography instrument giving good agreement for compound elution order and the times to maximum concentration for the eluted components. An improved design of end fittings for the counter-current chromatography bobbins is described which permits on-column switching of the mobile and stationary phases. This on-column switching successfully eliminates the displaced stationary phase seen in fractions when operating ICcE with standard flying leads and gives a 6% reduction in the retention time of compounds and improved resolution due to the elimination of the time delay required to pump the previous mobile phase from standard flying leads.

  16. Beyond transition state theory: accurate description of nuclear quantum effects on the rate and equilibrium constants of chemical reactions using Feynman path integrals.

    Science.gov (United States)

    Vanícek, Jirí

    2011-01-01

    Nuclear tunneling and other nuclear quantum effects have been shown to play a significant role in molecules as large as enzymes even at physiological temperatures. I discuss how these quantum phenomena can be accounted for rigorously using Feynman path integrals in calculations of the equilibrium and kinetic isotope effects as well as of the temperature dependence of the rate constant. Because these calculations are extremely computationally demanding, special attention is devoted to increasing the computational efficiency by orders of magnitude by employing efficient path integral estimators.

  17. Extraction of elementary rate constants from global network analysis of E. coli central metabolism

    Directory of Open Access Journals (Sweden)

    Broderick Gordon

    2008-05-01

    Full Text Available Abstract Background As computational performance steadily increases, so does interest in extending one-particle-per-molecule models to larger physiological problems. Such models however require elementary rate constants to calculate time-dependent rate coefficients under physiological conditions. Unfortunately, even when in vivo kinetic data is available, it is often in the form of aggregated rate laws (ARL that do not specify the required elementary rate constants corresponding to mass-action rate laws (MRL. There is therefore a need to develop a method which is capable of automatically transforming ARL kinetic information into more detailed MRL rate constants. Results By incorporating proteomic data related to enzyme abundance into an MRL modelling framework, here we present an efficient method operating at a global network level for extracting elementary rate constants from experiment-based aggregated rate law (ARL models. The method combines two techniques that can be used to overcome the difficult properties in parameterization. The first, a hybrid MRL/ARL modelling technique, is used to divide the parameter estimation problem into sub-problems, so that the parameters of the mass action rate laws for each enzyme are estimated in separate steps. This reduces the number of parameters that have to be optimized simultaneously. The second, a hybrid algebraic-numerical simulation and optimization approach, is used to render some rate constants identifiable, as well as to greatly narrow the bounds of the other rate constants that remain unidentifiable. This is done by incorporating equality constraints derived from the King-Altman and Cleland method into the simulated annealing algorithm. We apply these two techniques to estimate the rate constants of a model of E. coli glycolytic pathways. The simulation and statistical results show that our innovative method performs well in dealing with the issues of high computation cost, stiffness, local

  18. Supercritical carbon dioxide extraction of porogens for the preparation of ultralow-dielectric-constant films

    Energy Technology Data Exchange (ETDEWEB)

    Toney, Michael F

    2003-06-20

    Supercritical carbon dioxide (SCCO2) extraction of a CO{sub 2}-soluble poly(propylene glycol) (PPG) porogen from poly(methylsilsesquioxane) (PMSSQ) cured to temperatures adequate to initiate matrix condensation, but still below the decomposition temperature of the porogen is demonstrated to produce nanoporous, ultralow dielectric constant thin films. Both closed and open cell porous structures were prepared simply by varying the porogen load in the organic/inorganic hybrid films. The porogen loads investigated in the present work ranged from 25-55 wt.%. Structural characterization of the samples conducted using transmission electron microscope (TEM), small angle X-ray scattering (SAXS) and Fourier transform infrared spectroscopy (FTIR) confirms the successful extraction of the porogen from the PMSSQ matrix at relatively low temperatures ({le} 200 C). The standard thermal decomposition process is performed at much higher temperatures (typically in the range of 400 C-450 C). The values of dielectric constants and refractive indices measured are in good agreement with the structural properties of these samples.

  19. Extraction of depth profiles of third-order elastic constants in cracked media

    Science.gov (United States)

    Rjelka, Marek; Koehler, Bernd; Mayer, Andreas

    2017-02-01

    Elastic constants of components are usually determined by tensile tests in combination with ultrasonic experiments. However, these properties may change due to e.g. mechanical treatments or service conditions during their lifetime. Knowledge of the actual material parameters is key to the determination of quantities like residual stresses present in the medium. In this work the acoustic nonlinearity parameter (ANP) for surface acoustic waves is examined through the derivation of an evolution equation for the amplitude of the second harmonic. Given a certain depth profile of the third-order elastic constants, the dependence of the ANP with respect to the input frequency is determined and on the basis of these results, an appropriate inversion method is developed. This method is intended for the extraction of the depth dependence of the third-order elastic constants of the material from second-harmonic generation and guided wave mixing experiments, assuming that the change in the linear Rayleigh wave velocity is small. The latter assumption is supported by a 3D-FEM model study of a medium with randomly distributed micro-cracks as well as theoretical works on this topic in the literature.

  20. Equilibrium Copper Strip Points as a Function of Temperature and Other Operating Parameters: Implications for Commercial Copper Solvent Extraction Plants

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The development of pressure and bioleaching processes for high grade copper ores and concentrates will result in copper solvent extraction plants treating solutions with high copper and acid concentrations at temperatures up to 45C and these copper solvent extraction plants will run with reagent concentrations up to 40 vol.%. There is also a trend to use copper stripping solutions with less acid than typically used in recent years. Cognis has developed a model that accurately predicts the copper strip point for virtually any copper solvent extraction reagent or combination of reagents under a wide variety of conditions. The equilibrium strip points for several well known commercial copper solvent extraction reagents are given as a function of reagent concentration, the copper and acid concentration of the strip aqueous, and the temperature. It is shown that the equilibrium strip point is not a straight line function of reagent concentration and that the equilibrium strip point increases with an increase in temperature. Copper extraction also increases as the temperature increases.

  1. Coenzyme B12 model studies: Equilibrium constants for the H-dependent axial ligation of benzyl(aquo)cobaloxime by various N- and S-donor ligands

    Indian Academy of Sciences (India)

    D Sudarshan Reddy; N Ravi Kumar Reddy; V Sridhar; S Satyanarayana

    2002-02-01

    Equilibria of the axial ligation of benzyl(aquo)cobaloximes by imidazole, 1-methyl imidazole, histidine, histamine, glycine, ethyl glycine ester, thiourea and urea have been spectrophotometrically measured in aqueous solutions of ionic strength 1.0 M (KCl) at 25°C as a function of H. The equilibrium constants are in the order CN- > 1-methyl imidazole > imidazole > histidine > histamine > glycine > ethyl glycine ester > thiourea > urea. The order of stability of benzyl(ligand)cobaloxime is explained based on the basicity of the ligand, Co(III) → - back bonding and soft-soft and soft-hard interaction. Imidazole, substituted imidazoles, histidine and histamine form more stable complexes than glycine, ethyl glycine ester in contrast to the basicity of the ligands. Benzyl(ligand)cobaloximes were isolated and characterized by elemental analysis, IR and 1H NMR spectra.

  2. Fractionation of oil sands-process affected water using pH-dependent extractions: a study of dissociation constants for naphthenic acids species.

    Science.gov (United States)

    Huang, Rongfu; Sun, Nian; Chelme-Ayala, Pamela; McPhedran, Kerry N; Changalov, Mohamed; Gamal El-Din, Mohamed

    2015-05-01

    The fractionation of oil sands process-affected water (OSPW) via pH-dependent extractions was performed to quantitatively investigate naphthenic acids (NAs, CnH2n+ZO2) and oxidized NAs (Ox-NAs) species (CnH2n+ZO3 and CnH2n+ZO4) using ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC-TOFMS). A mathematical model was also developed to estimate the dissociation constant pKa for NAs species, considering the liquid-liquid extraction process and the aqueous layer acid-base equilibrium. This model provides estimated dissociation constants for compounds in water samples based on fractionation extraction and relative quantification. Overall, the sum of O2-, O3-, and O4-NAs species accounted for 33.6% of total extracted organic matter. Accumulative extracted masses at different pHs revealed that every oxygen atom added to NAs increases the pKa (i.e., O2-NAs

  3. Measurement of jet production with the ATLAS detector and extraction of the strong coupling constant

    CERN Document Server

    Sawyer, Lee; The ATLAS collaboration

    2017-01-01

    The production of jets at hadron colliders provides a stringent test of perturbative QCD at the highest energies. The process can also be used to probe the gluon density function of the proton. Specific topologies can be used to extract the strong coupling constant. The ATLAS collaboration has recently measured the inclusive jet production cross section in data collected at a center-of-mass energy of 8TeV and 13TeV. The measurements have been performed differentially in jet rapidity and transverse momentum. The collaboration also presents a first measurement of the di-jet cross section at a center-of-mass energy of 13TeV as a function of the di-jet mass and rapidity. The results have been compared with state-of-the-art theory predictions at NLO in pQCD, interfaced with different parton distribution functions and can be used to constrain the proton structure. We also present new measurements of transverse energy-energy correlations (TEEC) and their associated asymmetries (ATEEC) in multi-jet events at a center...

  4. Chemical Principles Revisited: Chemical Equilibrium.

    Science.gov (United States)

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  5. Determination of equilibrium constant of amino carbamate adduct formation in sisomicin by a high pH based high performance liquid chromatography.

    Science.gov (United States)

    Wlasichuk, Kenneth B; Tan, Li; Guo, Yushen; Hildebrandt, Darin J; Zhang, Hao; Karr, Dane E; Schmidt, Donald E

    2015-01-01

    Amino carbamate adduct formation from the amino group of an aminoglycoside and carbon dioxide has been postulated as a mechanism for reducing nephrotoxicity in the aminoglycoside class compounds. In this study, sisomicin was used as a model compound for amino carbamate analysis. A high pH based reversed-phase high performance liquid chromatography (RP-HPLC) method is used to separate the amino carbamate from sisomicin. The carbamate is stable as the breakdown is inhibited at high pH and any reactive carbon dioxide is removed as the carbonate. The amino carbamate was quantified and the molar fraction of amine as the carbamate of sisomicin was obtained from the HPLC peak areas. The equilibrium constant of carbamate formation, Kc, was determined to be 3.3 × 10(-6) and it was used to predict the fraction of carbamate over the pH range in a typical biological systems. Based on these results, the fraction of amino carbamate at physiological pH values is less than 13%, and the postulated mechanism for nephrotoxicity protection is not valid. The same methodology is applicable for other aminoglycosides. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. The ion exchange properties and equilibrium constants of Li+, Na+ and K+ on zirconium phosphate highly dispersed on a cellulose acetate fibers surface

    Directory of Open Access Journals (Sweden)

    Borgo Claudemir Adriano

    2004-01-01

    Full Text Available Highly dispersed zirconium phosphate was prepared by reacting celullose acetate/ZrO2 (ZrO2 = 11 wt%, 1.0 mmol g-1 of zirconium atom per gram of the material with phosphoric acid. High power decoupling magic angle spinning (HPDEC-MAS 31P NMR and X-ray photoelectron spectroscopy data indicated that HPO4(2- is the species present on the membrane surface. The specific concentration of acidic centers, determined by ammonia gas adsorption, is 0.60 mmol g-1. The ion exchange capacities for Li+, Na+ and K+ ions were determined from ion exchange isotherms at 298 K and showed the following values (in mmol g-1: Li+= 0.05, Na+= 0.38 and K+= 0.57. Due to the strong cooperative effect, the H+/Na+ and H+/K+ ion exchange is of non ideal nature. These ion exchange equilibria were treated with the use of models of fixed tridentate centers, which consider the surface of the sorbent as polyfunctional sorption centers. Both the observed ion exchange capacities with respect to the alkaline metal ions and the equilibrium constants are discussed by taking into consideration the sequence of the ionic hydration radii for Li+, Na+ and K+. The matrix affinity for the ions decreases with increasing the cations hydration radii from K+ to Li+. The high values of the separation factors S Na+/Li+ and S K+/Li+ (up to several hundreds support the application of this material for the quantitative separation of Na+ and K+ from Li+ from a mixture containing these three ions.

  7. MODELING OF THE SOLVENT EXTRACTION EQUILIBRIUM OF URANIUM (VI SULFATE WITH ALAMINE 336

    Directory of Open Access Journals (Sweden)

    É. C. Avelar

    Full Text Available Abstract The present study investigated the solvent extraction of uranium from sulfate acid solutions using Alamine 336 as an extractant dissolved in commercial kerosene Exxsol D-100 and 5% v/v of tridecanol as a modifying agent at room temperature (25±2 ºC and an aqueous/organic volumetric ratio of unity. Experiments were carried out at typical concentration levels like those used at the uranium plant of INB (Indústrias Nucleares do Brasil, Brazil. Data fitting using the slope analysis method revealed that uranium is extracted by Alamine 336 as UO2SO4 and UO2(SO422- species, forming (R3NH+2UO2(SO422- in the organic phase; the extraction of the species UO2(SO434- seems improbable for the operating conditions investigated. The extraction of uranium is significantly reduced when the concentrations of sulfate and chloride ions in the aqueous phase are increased.

  8. On-Wafer Measurements for Extraction of Effective Dielectric Constant in IC Transmission Lines on Multilayer Substrates

    Directory of Open Access Journals (Sweden)

    R. B. Borisov

    2012-11-01

    Full Text Available Methodology for extracting an effective dielectric constant of microstrip transmission lines on multilayer substrates, from measured or simulated S-parameters data, using on-chip test structures, has been demonstrated. The methodology consists of: 1 building on-chip interconnect structures usually implemented in calibration and de-embedding procedures in microwave on-wafer test and measurements – transmission lines, stubs and pad launchers; 2 extracting the effective dielectric constant from the characteristic impedance and propagation constant of these structures, fully described by the measured or EM-simulated S-parameters. The demonstrated methodology is applicable for evaluation of dielectric and semiconductor multilayer substrates, both with lossy and lossless characteristics over a broad frequency band. Another advantage is implementation of very short transmission line structures with physical dimensions much smaller than a quarter wavelength of the highest investigated band frequency, thus preserving a valuable chip area in the test structures and being compatible with some of the calibration TRL elements.

  9. Modeling of solvent extraction equilibrium of Cu(II from sulphuric Acid solution with MOC-55TD

    Directory of Open Access Journals (Sweden)

    Alguacil, F. J.

    1999-06-01

    Full Text Available The extraction of Cu(II from acidic sulphate aqueous solutions using the commercial MOC-55TD extractant is studied. A predictive model, which consists in a set of non-linear mass action and mass balance equations is proposed. The model was solved using a tailor-made equation-solving program. The extraction of copper can be described by the formation of CuR2 species (log Kext= 0.717 ± 0.03 in the organic phase. The copper equilibrium isotherm was also obtained at 20°C.

    Se estudia la extracción de Cu(II de disoluciones acuosas acidas, en medio sulfato, mediante la oxima comercial MOC-55TD. Se propone un modelo para predecir la extracción del metal; este modelo consiste en una serie de ecuaciones no lineales de acción de masas y balance de masas. El modelo se resolvió empleando un programa de ordenador específicamente definido para este tipo de equilibrios. La extracción de cobre se describe por la formación de la especie CuR2 (log Kext= 0,717 ± 0,03 en la fase orgánica. Se ha obtenido la isoterma de extracción de cobre a 20 °C.

  10. Phenolic stabilisers extraction constants of polypropylene geotextiles determination in alkali medium

    OpenAIRE

    Farcas, Fabienne; Fayolle, Bruno; Azzouz, Mériam; Richaud, Emmanuel

    2012-01-01

    The use of geotextiles made of polypropylene (PP) in civil engineering such as tunnel requieres adequates control over their durability, and this characteristic remains poorly known due to their inaccessibility. Considering concrete environment ageing conditions (alkali medium i.e. pH = 9 to 13), the aim of this study is to complete a non-empirical kinetic model for polypropylene ageing by the determination of the extraction parameters a frequently used phenolic process stabilisers: Irganox 1...

  11. Measurement of jet production with the ATLAS detector and extraction of the strong coupling constant

    CERN Document Server

    Marceca, Gino; The ATLAS collaboration

    2017-01-01

    The inclusive-jet cross-section at 8 TeV and the inclusive-jet and dijet cross-sections at 13 TeV with the ATLAS detector are presented. NLO QCD calculations, and NNLO for the inclusive-jet measurement at 13 TeV, are compared to the measurements. The extraction of $\\alpha_{s}$ from the measurement of the transverse energy-energy correlation at 8 TeV with the ATLAS detector is also presented.

  12. Synergistic extraction equilibrium of lanthanoids(III) with 2-thenoyltrifluoroacetone and nitrogen-containing bidentate ligands, ethylenediamine derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Satake, Saeko; Tsukahara, Satoshi; Suzuki, Nobuo [Tohoku Univ., Sendai (Japan). Dept. of Chemistry

    1999-03-01

    The synergistic extraction of lanthanoids(III), Ln(III), i.e., La, Sm, Tb, Tm and Lu, using 2-thenoyltrifluoroacetone (Htta) and nitrogen-containing neutral bidentate ligands (S), i.e., three ethylenediamine derivatives, such as N,N{prime}-dimethylethylenediamine (dmen), N,N{prime}-diethylethylenediamine (deen) and cis-1,2-cyclohexanediamine (chda), was studied in the benzene and aqueous system. The synergistic enhancement in these extraction systems was mainly attributed to the formation of an adduct, Ln(tta){sub 3}S, in the benzene phase. The variation of the adduct formation constants ({beta}{sub S,1}) was discussed with the basicity of ligands and structure hindrance around the metal ion.

  13. Geometry dependence of RMT-based methods to extract the low-energy constants Sigma and F

    CERN Document Server

    Lehner, Christoph; Hashimoto, Shoji; Wettig, Tilo

    2011-01-01

    The lowest-order low-energy constants $\\Sigma$ and $F$ of chiral pertubation theory can be extracted from lattice data using methods based on the equivalence of random matrix theory (RMT) and QCD in the epsilon regime. We discuss how the choice of the lattice geometry affects such methods. In particular, we show how to minimize systematic deviations from RMT by an optimal choice of the lattice geometry in the case of two light quark flavors. We illustrate our findings by determining $\\Sigma$ and $F$ from lattice configurations with two dynamical overlap fermions generated by JLQCD, using two different lattice geometries.

  14. Combination of poroelasticity theory and constant strain rate test in modelling land subsidence due to groundwater extraction

    Science.gov (United States)

    Pham, Tien Hung; Rühaak, Wolfram; Sass, Ingo

    2017-04-01

    Extensive groundwater extraction leads to a drawdown of the ground water table. Consequently, soil effective stress increases and can cause land subsidence. Analysis of land subsidence generally requires a numerical model based on poroelasticity theory, which was first proposed by Biot (1941). In the review of regional land subsidence accompanying groundwater extraction, Galloway and Burbey (2011) stated that more research and application is needed in coupling of stress-dependent land subsidence process. In geotechnical field, the constant rate of strain tests (CRS) was first introduced in 1969 (Smith and Wahls 1969) and was standardized in 1982 through the designation D4186-82 by American Society for Testing and Materials. From the reading values of CRS tests, the stress-dependent parameters of poroelasticity model can be calculated. So far, there is no research to link poroelasticity theory with CRS tests in modelling land subsidence due to groundwater extraction. One dimensional CRS tests using conventional compression cell and three dimension CRS tests using Rowe cell were performed. The tests were also modelled by using finite element method with mixed elements. Back analysis technique is used to find the suitable values of hydraulic conductivity and bulk modulus that depend on the stress or void ratio. Finally, the obtained results are used in land subsidence models. Biot, M. A. (1941). "General theory of three-dimensional consolidation." Journal of applied physics 12(2): 155-164. Galloway, D. L. and T. J. Burbey (2011). "Review: Regional land subsidence accompanying groundwater extraction." Hydrogeology Journal 19(8): 1459-1486. Smith, R. E. and H. E. Wahls (1969). "Consolidation under constant rates of strain." Journal of Soil Mechanics & Foundations Div.

  15. The effect of parameters of equilibrium-based 3-D biomechanical models on extracted muscle synergies during isometric lumbar exertion.

    Science.gov (United States)

    Eskandari, A H; Sedaghat-Nejad, E; Rashedi, E; Sedighi, A; Arjmand, N; Parnianpour, M

    2016-04-11

    A hallmark of more advanced models is their higher details of trunk muscles represented by a larger number of muscles. The question is if in reality we control these muscles individually as independent agents or we control groups of them called "synergy". To address this, we employed a 3-D biomechanical model of the spine with 18 trunk muscles that satisfied equilibrium conditions at L4/5, with different cost functions. The solutions of several 2-D and 3-D tasks were arranged in a data matrix and the synergies were computed by using non-negative matrix factorization (NMF) algorithms. Variance accounted for (VAF) was used to evaluate the number of synergies that emerged by the analysis, which were used to reconstruct the original muscle activations. It was showed that four and six muscle synergies were adequate to reconstruct the input data of 2-D and 3-D torque space analysis. The synergies were different by choosing alternative cost functions as expected. The constraints affected the extracted muscle synergies, particularly muscles that participated in more than one functional tasks were influenced substantially. The compositions of extracted muscle synergies were in agreement with experimental studies on healthy participants. The following computational methods show that the synergies can reduce the complexity of load distributions and allow reduced dimensional space to be used in clinical settings.

  16. Benzodiazepine receptor equilibrium constants for flumazenil and midazolam determined in humans with the single photon emission computer tomography tracer [123I]iomazenil

    DEFF Research Database (Denmark)

    Videbaek, C; Friberg, L; Holm, S

    1993-01-01

    twice, once without receptor blockade and once with a constant degree of partial blockade of the benzodiazepine receptors by infusion of nonradioactive flumazenil (Lanexat) or midazolam (Dormicum). Single photon emission computer tomography and blood sampling were performed intermittently for 6 h after...

  17. Evaluation of a Brain Acetylcholinesterase Extraction Method and Kinetic Constants after Methyl-Paraoxon Inhibition in Three Brazilian Fish Species

    Science.gov (United States)

    Freitas, A. P.; Santos, C. R.; Sarcinelli, P. N.; Hauser-Davis, R. A.; Lopes, R. M.

    2016-01-01

    Acetylcholinesterase (AChE) is an important enzyme in the control of the neuronal action potential and sensitive to organophosphate inhibition. Brain fish AChE is less sensitive to organophosphate inhibition than AChE from terrestrial animals, although this sensitivity is variable among species and has not yet been fully evaluated in fish species. In this setting, inhibition kinetic constants for progressive irreversible inhibition of brain acetylcholinesterase due to methyl-paraoxon exposure were determined in three fish species (Mugil liza, Genidens genidens and Lagocephalus laevigatus) and hen (Gallus domesticus). Enzyme extraction using a detergent was shown to be adequate, and samples presented activity inhibition in high substrate concentrations and suppression of inhibition by methyl-paraoxon in the presence of the substrate, similar to kinetic patterns from purified enzyme preparations. Catfish (G. genidens) AChE presented the highest sensitivity among the evaluated fish species (IC50 = 1031.20 nM ± 63.17) in comparison to M. liza and L. laevigatus (IC50: 2878.83 ± 421.94 and 2842.5 ± 144.63 nM respectively). The lower dissociation constant (Kd = 20.3 ± 2.95 μM) of catfish AChE showed greater enzyme affinity for methyl-paraoxon, explaining this species higher sensitivity to organophosphates. Hen AChE presented higher ki (900.57 ± 65.3 mM-1min-1) and, consequently, greater sensitivity to methyl-paraoxon, explained by a lower Kd (0.6 ± 0.13 μM). Furthermore, hen AChE did not differentiate between the propionylthiocholine and acetylthiocholine substrates, indicating easier access of methyl-paraoxon to the hen enzyme activity site. The results obtained herein indicate a suitable extraction of AChE and, despite different inhibition kinetic constants, demonstrate that fish AChE is less sensitive to methyl-paraoxon, probably due to reduced access to the catalytic center which provides greater enzyme substrate selectivity. PMID:27655611

  18. Effect of Hetero Atom on the Hammett’s Reaction Constant (ρ from the Physical Basis of Dissociation Equilibriums of (Dithio Benzoic Acids and (Thio Phenols and Its Application to Solvolysis Reactions and Some Free Radical Reactions

    Directory of Open Access Journals (Sweden)

    Jagannadham Vandanapu

    2012-01-01

    Full Text Available The emergence of putative Hammett equation in mid 1930s was a boon to physical-organic chemists to elucidate the reaction mechanisms of several organic reactions. Based on the concept of this equation several hundreds of papers have emerged in chemical literature in the last century on the effect of structure, on reactivity, and very few on thermodynamic stability and kinetic reactivity of intermediates. In this article an attempt is made to explain the effect of hetero atom on Hammett’s reaction constant (ρ taking the dissociation equilibriums of benzoic acids, dithiobenzoic acids, phenols, and thiophenols.

  19. A numerical study of EGS heat extraction process based on a thermal non-equilibrium model for heat transfer in subsurface porous heat reservoir

    Science.gov (United States)

    Chen, Jiliang; Jiang, Fangming

    2016-02-01

    With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.

  20. Extraction Kinetics of Lanthanum in Chloride Medium by Bifunctional Ionic Liquid [A336][CA-12] Using a Constant Interfacial Cell with Laminar Flow☆

    Institute of Scientific and Technical Information of China (English)

    Hualing Yang; Ji Chen; Wei Wang; Hongmin Cui; Dongli Zhang; Yu Liu

    2014-01-01

    The extraction kinetics of La(III) from aqueous chloride solutions into n-heptane solutions of bifunctional ionic liquid extractant [A336][CA-12] (tricaprylmethylammonium sec-octylphenoxy acetic acid) was investigated using a constant interfacial cel with laminar flow. The effects of stirring speed, temperature and specific interfa-cial area on the extraction rate were examined. The results indicate that mass transfer kinetics of La(III) is a mixed-controlled process influenced by interfacial reaction. On the basis of mass transfer kinetic results in the ex-traction of La(III) by [A336][CA-12], the extraction rate equation of La(III) is proposed in terms of pseudo-first-order constants, which is supported by the measured thermodynamic equations. The mass-transfer kinetic model deduced from the rate controlling step is adequate to interpret the experimental data qualitatively.

  1. Formation and reactivity of a porphyrin iridium hydride in water: acid dissociation constants and equilibrium thermodynamics relevant to Ir-H, Ir-OH, and Ir-CH2- bond dissociation energetics.

    Science.gov (United States)

    Bhagan, Salome; Wayland, Bradford B

    2011-11-01

    Aqueous solutions of group nine metal(III) (M = Co, Rh, Ir) complexes of tetra(3,5-disulfonatomesityl)porphyrin [(TMPS)M(III)] form an equilibrium distribution of aquo and hydroxo complexes ([(TMPS)M(III)(D(2)O)(2-n)(OD)(n)]((7+n)-)). Evaluation of acid dissociation constants for coordinated water show that the extent of proton dissociation from water increases regularly on moving down the group from cobalt to iridium, which is consistent with the expected order of increasing metal-ligand bond strengths. Aqueous (D(2)O) solutions of [(TMPS)Ir(III)(D(2)O)(2)](7-) react with dihydrogen to form an iridium hydride complex ([(TMPS)Ir-D(D(2)O)](8-)) with an acid dissociation constant of 1.8(0.5) × 10(-12) (298 K), which is much smaller than the Rh-D derivative (4.3 (0.4) × 10(-8)), reflecting a stronger Ir-D bond. The iridium hydride complex adds with ethene and acetaldehyde to form organometallic derivatives [(TMPS)Ir-CH(2)CH(2)D(D(2)O)](8-) and [(TMPS)Ir-CH(OD)CH(3)(D(2)O)](8-). Only a six-coordinate carbonyl complex [(TMPS)Ir-D(CO)](8-) is observed for reaction of the Ir-D with CO (P(CO) = 0.2-2.0 atm), which contrasts with the (TMPS)Rh-D analog which reacts with CO to produce an equilibrium with a rhodium formyl complex ([(TMPS)Rh-CDO(D(2)O)](8-)). Reactivity studies and equilibrium thermodynamic measurements were used to discuss the relative M-X bond energetics (M = Rh, Ir; X = H, OH, and CH(2)-) and the thermodynamically favorable oxidative addition of water with the (TMPS)Ir(II) derivatives.

  2. Toward mechanistic understanding of nuclear reprocessing chemistries by quantifying lanthanide solvent extraction kinetics via microfluidics with constant interfacial area and rapid mixing.

    Science.gov (United States)

    Nichols, Kevin P; Pompano, Rebecca R; Li, Liang; Gelis, Artem V; Ismagilov, Rustem F

    2011-10-05

    The closing of the nuclear fuel cycle is an unsolved problem of great importance. Separating radionuclides produced in a nuclear reactor is useful both for the storage of nuclear waste and for recycling of nuclear fuel. These separations can be performed by designing appropriate chelation chemistries and liquid-liquid extraction schemes, such as in the TALSPEAK process (Trivalent Actinide-Lanthanide Separation by Phosphorus reagent Extraction from Aqueous Komplexes). However, there are no approved methods for the industrial scale reprocessing of civilian nuclear fuel in the United States. One bottleneck in the design of next-generation solvent extraction-based nuclear fuel reprocessing schemes is a lack of interfacial mass transfer rate constants obtained under well-controlled conditions for lanthanide and actinide ligand complexes; such rate constants are a prerequisite for mechanistic understanding of the extraction chemistries involved and are of great assistance in the design of new chemistries. In addition, rate constants obtained under conditions of known interfacial area have immediate, practical utility in models required for the scaling-up of laboratory-scale demonstrations to industrial-scale solutions. Existing experimental techniques for determining these rate constants suffer from two key drawbacks: either slow mixing or unknown interfacial area. The volume of waste produced by traditional methods is an additional, practical concern in experiments involving radioactive elements, both from disposal cost and experimenter safety standpoints. In this paper, we test a plug-based microfluidic system that uses flowing plugs (droplets) in microfluidic channels to determine absolute interfacial mass transfer rate constants under conditions of both rapid mixing and controlled interfacial area. We utilize this system to determine, for the first time, the rate constants for interfacial transfer of all lanthanides, minus promethium, plus yttrium, under TALSPEAK

  3. Rapid-Equilibrium Enzyme Kinetics

    Science.gov (United States)

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…

  4. Extraction Equilibrium of Mn2+, Ca2+, and Mg2+ from Chloride Solutions by Di(2-ethylhexyl)phosphoric Acid Dissolved in Kerosene

    Science.gov (United States)

    Zhang, Chuanfu; Cao, Wenxin; Zhan, Jing; Ding, Fenghua; Hwang, Jiann-Yang

    2015-05-01

    The presence of calcium and magnesium affects the purity of the final product MnCl2 in hydrometallurgical treatment processes. The solvent extraction method can be used to separate Ca2+ and Mg2+ from Mn2+ solutions containing impurity ions such as Ca2+ and Mg2+. This article aims to investigate the single-stage extraction equilibrium of Ca2+, Mg2+, and Mn2+ in chloride medium using di(2-ethylhexyl)phosphoric acid in kerosene (O:A = 1:1). The results show that the pH0.5 values are 1.11, 1.56, and 2.18 for Ca2+, Mn2+, and Mg2+, respectively. The mechanism of extraction and stoichiometries of metal-containing extracted species were illustrated based on a slope analysis. The composition of the extracted species in the organic phase is proposed to be MnR2·R2H2, CaR2·R2H2, and MgR2·(R2H2)2, respectively.

  5. Equilibrium Isotherm Studies of Adsorption of Pigments Extracted from Kuduk-kuduk (Melastoma malabathricum L. Pulp onto TiO2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    N. T. R. N. Kumara

    2014-01-01

    Full Text Available The adsorption of natural pigments onto TiO2 nanoparticles was investigated. The pigments were extracted from the dark purple colored pulp of the berry-like capsule of Kuduk-kuduk (Melastoma malabathricum L.. The Langmuir, Freundlich, Redlich-Peterson, and Sips isotherm models were used to analyze the equilibrium experimental data. Data correlated well with the Sips isotherm model, where the heterogeneity factor (n=0.24 indicated heterogeneous adsorption characteristics, with a maximum adsorption capacity of 0.0130 mg/g. The heterogeneous adsorption character was further supported by results obtained from zeta-potential measurements. When a dye-sensitized solar cell (DSSC was sensitized with the extracted pigment, the photo-energy conversion efficiency was measured to be 0.83%, thus proving the suitability of Kuduk-kuduk fruit pulp as a sensitizer in DSSCs.

  6. Extraction of uranyl nitrate, sulphate and chloride with tri-n-octyl amine (TOA from aqueous solutions

    Directory of Open Access Journals (Sweden)

    DJORDJE M. PETKOVIC

    2001-07-01

    Full Text Available Extraction of uranyl nitrate, chloride and sulphate with tri-n-octyl amine (TOA in benzene as a function of the TOA concentration has been studied. The concentration based extraction equilibrium constants were calculated from the distribution data of the uranyl salts, fitting the parameters of a chemical model to the experimentally obtained extraction isotherms. The calculated equilibrium constants are 46.5, 89.4 and 4.2·104 for uranyl nitrate, chloride and sulphate, respectively. These values are in good agreement with the previously reported extraction equilibrium constants calculated by the inflection point method.

  7. GENERAL EQUILIBRIUM

    Directory of Open Access Journals (Sweden)

    Monique Florenzano

    2008-09-01

    Full Text Available General equilibrium is a central concept of economic theory. Unlike partial equilibrium analysis which study the equilibrium of a particular market under the clause “ceteris paribus” that revenues and prices on the other markets stay approximately unaffected, the ambition of a general equilibrium model is to analyze the simultaneous equilibrium in all markets of a competitive economy. Definition of the abstract model, some of its basic results and insights are presented. The important issues of uniqueness and local uniqueness of equilibrium are sketched; they are the condition for a predictive power of the theory and its ability to allow for statics comparisons. Finally, we review the main extensions of the general equilibrium model. Besides the natural extensions to infinitely many commodities and to a continuum of agents, some examples show how economic theory can accommodate the main ideas in order to study some contexts which were not thought of by the initial model

  8. Impact of the molecular structure and adsorption mode of D-π-A dye sensitizers with a pyridyl group in dye-sensitized solar cells on the adsorption equilibrium constant for dye-adsorption on TiO2 surface.

    Science.gov (United States)

    Ooyama, Yousuke; Yamaguchi, Naoya; Ohshita, Joji; Harima, Yutaka

    2016-12-07

    D-π-A dyes NI-4 bearing a pyridyl group, YNI-1 bearing two pyridyl groups and YNI-2 bearing two thienylpyridyl groups as the anchoring group on the TiO2 surface have been developed as dye sensitizers for dye-sensitized solar cells (DSSCs), where NI-4 and YNI-2 can adsorb onto the TiO2 electrode through the formation of the coordinate bond between the pyridyl group of the dye and the Lewis acid site (exposed Ti(n+) cations) on the TiO2 surface, but YNI-1 is predominantly adsorbed on the TiO2 electrode through the formation of the hydrogen bond between the pyridyl group of the dye and the Brønsted acid sites (surface-bound hydroxyl groups, Ti-OH) on the TiO2 surface. The difference in the dye-adsorption mode among the three dyes on the TiO2 surface has been investigated from the adsorption equilibrium constant (Kad) based on the Langmuir adsorption isotherms. It was found that the Kad values of YNI-1 and YNI-2 are higher than that of NI-4, and more interestingly, the Kad value of YNI-2 is higher than that of YNI-1. This work demonstrates that that for the D-π-A dye sensitizers with the pyridyl group as the anchoring group to the TiO2 surface the number of pyridyl groups and the dye-adsorption mode on the TiO2 electrode as well as the molecular structure of the dye sensitizer affect the Kad value for the adsorption of the dye to the TiO2 electrode, that is, resulting in a difference in the Kad value among the D-π-A dye sensitizers NI-4, YNI-1 and YNI-2.

  9. Equilibrium relationships for non-equilibrium chemical dependencies

    OpenAIRE

    Yablonsky, Gregory S.; Constales, Denis; Marin, Guy B.

    2010-01-01

    In contrast to common opinion, it is shown that equilibrium constants determine the time-dependent behavior of particular ratios of concentrations for any system of reversible first-order reactions. Indeed, some special ratios actually coincide with the equilibrium constant at any moment in time. This is established for batch reactors, and similar relations hold for steady-state plug-flow reactors, replacing astronomic time by residence time. Such relationships can be termed time invariants o...

  10. Determination of formation constants of uranyl(VI complexes with a hydrophilic SO3-Ph-BTP ligand, using liquid-liquid extraction

    Directory of Open Access Journals (Sweden)

    Steczek Lukasz

    2015-12-01

    Full Text Available Complex formation between uranyl ion, UO22+, and a hydrophilic anionic form of SO3-Ph-BTP4- ligand, L4-, in water was studied by liquid-liquid extraction experiments performed over a range of the ligand and HNO3 concentrations in the aqueous phase, at a constant concentration of nitrate anions at 25°C . The competition for UO22+ ions between the lipophilic TODGA extractant and the hydrophilic L4- ligand leads to the decrease in the uranyl distribution ratios, D, with an increasing L4- concentration. The model of the solvent extraction process used accounts - apart from uranyl complexation by TODGA and SO3-Ph-BTP4- - also for uranyl complexation by nitrates and for the decrease in the concentration of the free L4- ligand in the aqueous phase, due to its protonation, bonding in the uranyl complex and the distribution between the two liquid phases. The unusually strong dependence of the D values on the acidity, found in the experiment, could hardly be explained as due to L4- protonation merely. Three hypotheses were experimentally tested, striving to interpret the data in terms of additional extraction to the organic phase of ion associates of protonated TODGA cation with either partly protonated anionic L4- ligands or anionic UO22+ complexes with NO3 - or L4-. None of them has been confirmed. The analysis of the results, based on the formal correction of free ligand concentrations, points to the formation of 1 : 1 and 1 : 2 uranyl - SO3-Ph-BTP complexes in the aqueous phase. The conditional formation constant of the 1:1 complex has been determined, logßL,1 = 2.95 ± 0.15.

  11. Measurements of branching fractions of leptonic and hadronic Ds+ meson decays and extraction of the Ds+ meson decay constant

    CERN Document Server

    Zupanc, A; Aihara, H; Arinstein, K; Asner, D M; Aushev, T; Bakich, A M; Bala, A; Bhuyan, B; Bonvicini, G; Bozek, A; Bračko, M; Brodzicka, J; Browder, T E; Chang, M -C; Chang, P; Chekelian, V; Chen, A; Chen, P; Cheon, B G; Chilikin, K; Chistov, R; Cho, K; Chobanova, V; Choi, S -K; Choi, Y; Cinabro, D; Dalseno, J; Danilov, M; Doležal, Z; Drásal, Z; Dutta, D; Eidelman, S; Farhat, H; Fast, J E; Ferber, T; Gaur, V; Gabyshev, N; Ganguly, S; Gillard, R; Goh, Y M; Golob, B; Haba, J; Hara, T; Hayasaka, K; Hayashii, H; Horii, Y; Hoshi, Y; Hou, W -S; Hsiung, Y B; Hyun, H J; Iijima, T; Inami, K; Ishikawa, A; Itoh, R; Iwasaki, Y; Iwashita, T; Jaegle, I; Julius, T; Kato, E; Kawai, H; Kawasaki, T; Kichimi, H; Kiesling, C; Kim, D Y; Kim, H O; Kim, J B; Kim, J H; Kim, M J; Kim, Y J; Kinoshita, K; Klucar, J; Ko, B R; Kodyš, P; Korpar, S; Križan, P; Krokovny, P; Kronenbitter, B; Kuhr, T; Kumita, T; Kuzmin, A; Kwon, Y -J; Lange, J S; Lee, S -H; Li, J; Libby, J; Liu, Z Q; Liventsev, D; Lukin, P; Miyata, H; Mizuk, R; Mohanty, G B; Moll, A; Mussa, R; Nakano, E; Nakao, M; Nedelkovska, E; Nisar, N K; Nishida, S; Nitoh, O; Ogawa, S; Okuno, S; Pakhlova, G; Park, C W; Park, H; Park, H K; Pedlar, T K; Pestotnik, R; Petrič, M; Piilonen, L E; Prim, M; Ritter, M; Röhrken, M; Rostomyan, A; Ryu, S; Sahoo, H; Saito, T; Sakai, Y; Sandilya, S; Santelj, L; Sanuki, T; Sato, Y; Savinov, V; Schneider, O; Schnell, G; Schwanda, C; Schwartz, A J; Semmler, D; Senyo, K; Sevior, M E; Shapkin, M; Shen, C P; Shibata, T -A; Shiu, J -G; Shwartz, B; Sibidanov, A; Simon, F; Sohn, Y -S; Sokolov, A; Solovieva, E; Starič, M; Steder, M; Sumiyoshi, T; Tamponi, U; Tanida, K; Tatishvili, G; Teramoto, Y; Trabelsi, K; Tsuboyama, T; Uchida, M; Uglov, T; Uno, S; Usov, Y; Vahsen, S E; Van Hulse, C; Vanhoefer, P; Varner, G; Vinokurova, A; Vorobyev, V; Wagner, M N; Wang, C H; Wang, M -Z; Wang, P; Wang, X L; Watanabe, M; Watanabe, Y; Won, E; Yamashita, Y; Yashchenko, S; Zhang, Z P; Zhilich, V; Zhulanov, V

    2013-01-01

    We present measurements of absolute branching fractions of hadronic and leptonic Ds+ decays to K- K+ pi+, anti-K0 K+, eta pi+, mu+ nu_mu and tau+ nu_tau and report a search for the leptonic Ds+ to e+ nu_e decays. The results are obtained from a large data sample collected at or near the Y(4S) and Y(5S) resonances with the Belle detector at the KEKB asymmetric-energy e+e- collider. The branching fractions of hadronic decays are measured to be Br(Ds+ -> K- K+ pi+) = (5.06 +- 0.15 +- 0.21)%, Br(Ds+ -> anti-K0 K+) = (2.95 +- 0.11 +- 0.09)%, and Br(Ds+ -> eta pi+) = (1.82 +- 0.14 +- 0.07)%, where the first and second uncertainties are statistical and systematic, respectively. The branching fractions of leptonic decays are measured to be Br(Ds+ -> mu+ nu_mu) = (0.531 +- 0.028 +- 0.020)%, and Br(Ds+ -> tau+ nu_tau) = (5.70 +- 0.21 +0.31-0.30)%, which are combined to determine the Ds+ meson decay constant f_Ds = (255.5 +- 4.2 +- 5.1) MeV. We find no significant signal for Ds+ -> e+ nu_e decays and set an upper limit ...

  12. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    Science.gov (United States)

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  13. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    Science.gov (United States)

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  14. Spectrophotometric determination of association constant

    DEFF Research Database (Denmark)

    2016-01-01

    Least-squares 'Systematic Trial-and-Error Procedure' (STEP) for spectrophotometric evaluation of association constant (equilibrium constant) K and molar absorption coefficient E for a 1:1 molecular complex, A + B = C, with error analysis according to Conrow et al. (1964). An analysis of the Charg...

  15. Spectrophotometric determination of association constant

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

    Least-squares 'Systematic Trial-and-Error Procedure' (STEP) for spectrophotometric evaluation of association constant (equilibrium constant) K and molar absorption coefficient E for a 1:1 molecular complex, A + B = C, with error analysis according to Conrow et al. (1964). An analysis of the Charge...

  16. On the Local Equilibrium Principle

    CERN Document Server

    Hessling, H

    2001-01-01

    A physical system should be in a local equilibrium if it cannot be distinguished from a global equilibrium by ``infinitesimally localized measurements''. This seems to be a natural characterization of local equilibrium, however the problem is to give a precise meaning to the qualitative phrase ``infinitesimally localized measurements''. A solution is suggested in form of a {\\em Local Equilibrium Condition} (LEC) which can be applied to non-interacting quanta. The Unruh temperature of massless quanta is derived by applying LEC to an arbitrary point inside the Rindler Wedge. Massless quanta outside a hot sphere are analyzed. A stationary spherically symmetric local equilibrium does only exist according to LEC if the temperature is globally constant. Using LEC a non-trivial stationary local equilibrium is found for rotating massless quanta between two concentric cylinders of different temperatures. This shows that quanta may behave like a fluid with a B\\'enard instability.

  17. Reflective equilibrium

    NARCIS (Netherlands)

    van der Burg, W.; van Willigenburg, T.

    1998-01-01

    The basic idea of reflective equilibrium, as a method for theory construction and decision making in ethics, is that we should bring together a broad variety of moral and non-moral beliefs and, through a process of critical scrutiny and mutual adjustment, combine these into one coherent belief syste

  18. Reflective equilibrium

    NARCIS (Netherlands)

    van der Burg, W.; van Willigenburg, T.

    1998-01-01

    The basic idea of reflective equilibrium, as a method for theory construction and decision making in ethics, is that we should bring together a broad variety of moral and non-moral beliefs and, through a process of critical scrutiny and mutual adjustment, combine these into one coherent belief syste

  19. Sweatshop Equilibrium

    OpenAIRE

    Chau, Nancy H.

    2009-01-01

    This paper presents a capability-augmented model of on the job search, in which sweatshop conditions stifle the capability of the working poor to search for a job while on the job. The augmented setting unveils a sweatshop equilibrium in an otherwise archetypal Burdett-Mortensen economy, and reconciles a number of oft noted yet perplexing features of sweatshop economies. We demonstrate existence of multiple rational expectation equilibria, graduation pathways out of sweatshops in complete abs...

  20. Varying Constants

    CERN Document Server

    Damour, Thibault Marie Alban Guillaume

    2003-01-01

    We review some string-inspired theoretical models which incorporate a correlated spacetime variation of coupling constants while remaining naturally compatible both with phenomenological constraints coming from geochemical data (Oklo; Rhenium decay) and with present equivalence principle tests. Barring unnatural fine-tunings of parameters, a variation of the fine-structure constant as large as that recently ``observed'' by Webb et al. in quasar absorption spectra appears to be incompatible with these phenomenological constraints. Independently of any model, it is emphasized that the best experimental probe of varying constants are high-precision tests of the universality of free fall, such as MICROSCOPE and STEP. Recent claims by Bekenstein that fine-structure-constant variability does not imply detectable violations of the equivalence principle are shown to be untenable.

  1. Measurement of the Branching Fraction for D8+ rarr tau+nu_tau and Extraction of the Decay Constant f_D_s

    Energy Technology Data Exchange (ETDEWEB)

    Lees, J.P.; Poireau, V.; Prencipe, E.; Tisserand, V.; /Annecy, LAPP; Garra Tico, J.; Grauges, E.; /Barcelona U., ECM; Martinelli, M.; Palano, A.; Pappagallo, M.; /INFN, Bari /Bari U.; Eigen, G.; Stugu, B.; Sun, L.; /Bergen U.; Battaglia, M.; Brown, D.N.; Hooberman, B.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Osipenkov, I.L.; Tanabe, T.; /UC, Berkeley; Hawkes, C.M.; /Birmingham U. /Ruhr U., Bochum /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /Indian Inst. Tech., Guwahati /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa State U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /INFN, Naples /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas U. /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U. /Victoria U. /Warwick U. /Wisconsin U., Madison

    2010-06-04

    The branching fraction for the decay D{sub s}{sup +} {yields} {tau}{sup +}{nu}{sub {tau}} with {tau}{sup +} {yields} e{sup +}{bar {nu}}{sub {tau}}, is measured using a data sample corresponding to an integrated luminosity of 427 fb{sup -1} collected at center of mass energies near 10.58 GeV with the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider at SLAC. In the process e{sup +}e{sup -} {yields} c{bar c} {yields} D*{sub s}{sup +} {bar D}{sub TAG}{bar K}X, the D*{sub s}{sup +} meson is reconstructed as a missing particle, and the subsequent decay D*{sub s}{sup +} {yields} D{sub s}{sup +}{gamma} yields an inclusive D{sub s}{sup +} data sample. Here {bar D}{sub TAG} refers to a fully reconstructed hadronic {bar D} decay, {bar K} is a K{sup -} or {bar K}{sup 0}, and X stands for any number of charged or neutral pions. The decay D{sub s}{sup +} {yields} K{sub S}{sup 0}K{sup +} is isolated also, and from ratio of event yields and known branching fractions, {Beta}(D{sub s}{sup +} {yields} {tau}{sup +}{nu}{sub {tau}}) = (4.5 {+-} 0.5 {+-} 0.4 {+-} 0.3)% is determined. The pseudoscalar decay constant is extracted to be f{sub D{sub s}} = (233 {+-} 13 {+-} 10 {+-} 7) MeV, where the first uncertainty is statistical, the second is systematic, and the third results from the uncertainties on the external measurements used as input to the calculation.

  2. Equilibrium thermodynamics

    CERN Document Server

    de Oliveira, Mário J

    2017-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...

  3. Equilibrium thermodynamics

    CERN Document Server

    Oliveira, Mário J

    2013-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions.  These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This textbo...

  4. Determination of unbound vismodegib (GDC-0449) concentration in human plasma using rapid equilibrium dialysis followed by solid phase extraction and high-performance liquid chromatography coupled to mass spectrometry.

    Science.gov (United States)

    Deng, Yuzhong; Wong, Harvey; Graham, Richard A; Liu, Wenbin; Shen, Heuy-shin; Shi, Yao; Wang, Laixin; Meng, Min; Malhi, Vikram; Ding, Xiao; Dean, Brian

    2011-07-15

    A rapid equilibrium dialysis (RED) assay followed by a solid phase extraction (SPE) high-performance liquid chromatography tandem mass spectrometry (LC-MS/MS) assay for the quantitative determination of unbound vismodegib in human plasma was developed and validated. The equilibrium dialysis was carried out using 0.3 mL plasma samples in the single-use plate RED system at 37°C for 6h. The dialysis samples (0.1 mL) were extracted using a Strata-X-C 33u Polymeric Strong Cation SPE plate and the resulting extracts were analyzed using reverse-phase chromatography and positive electrospray ionization (ESI) mass spectrometry. The standard curve, which ranged from 0.100 to 100 ng/mL for vismodegib, was fitted to a 1/x(2) weighted linear regression model. The lower limit of quantitation (LLOQ, 0.100 ng/mL) was sufficient to quantify unbound concentrations of vismodegib after dialysis. The intra-assay precision of the LC-MS/MS assay, based on the four analytical QC levels (LLOQ, low, medium and high), was within 7.7% CV and inter-assay precision was within 5.5% CV. The assay accuracy, expressed as %Bias, was within ±4.0% of the nominal concentration values. Extraction recovery of vismodegib was between 77.9 and 84.0%. The assay provides a means for accurate assessment of unbound vismodegib plasma concentrations in clinical studies.

  5. MATHEMATICAL CONSTANTS.

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, H.P.; Potter, Elinor

    1971-03-01

    This collection of mathematical data consists of two tables of decimal constants arranged according to size rather than function, a third table of integers from 1 to 1000, giving some of their properties, and a fourth table listing some infinite series arranged according to increasing size of the coefficients of the terms. The decimal values of Tables I and II are given to 20 D.

  6. Hemaka's constant

    CERN Document Server

    Sparavigna, Amelia Carolina

    2012-01-01

    As proposed in a previous paper, the decorations of ancient objects can provide some information on the approximate evaluations of constant {\\pi}, the ratio of circumference to diameter. Here we discuss some disks found in the tomb of Hemaka, the chancellor of a king of the First Dynasty of Egypt, about 3000 BC. The discussion is based on measurements of the dimensionless ratio of lengths.

  7. Characteristics of equilibrium reaction of zolazepam.

    Science.gov (United States)

    Hong, W H; Szulczewski, D H

    1981-06-01

    The equilibrium reaction of zolazepam, a pyrazolodiazepinone, was studied and analyzed using the approach used previously for other pyrazolodiazepinone derivatives. The intrinsic ring closure equilibrium constant for this reaction was approximately 100 times larger than that observed for pyrazolodiazepinones studied previously. This study illustrates that the diazepinone ring can dominate in equilibrium mixtures formed at pH values far below the pKa of the corresponding form.

  8. Compound forming extractants, solvating solvents and inert solvents IUPAC chemical data series

    CERN Document Server

    Marcus, Y; Kertes, A S

    2013-01-01

    Equilibrium Constants of Liquid-Liquid Distribution Reactions, Part III: Compound Forming Extractants, Solvating Solvents, and Inert Solvents focuses on the compilation of equilibrium constants of various compounds, such as acids, ions, salts, and aqueous solutions. The manuscript presents tables that show the distribution reactions of carboxylic and sulfonic acid extractants and their dimerization and other reactions in the organic phase and extraction reactions of metal ions from aqueous solutions. The book also states that the inorganic anions in these solutions are irrelevant, since they d

  9. Solid-liquid solvent extraction of metal ions

    Institute of Scientific and Technical Information of China (English)

    Bo Peng; Haiyan Fan; Jinzhang Gao

    2003-01-01

    An overview of extraction of some trace metal ions using molten solvent (low melting substance) during last two decadesis presented. The development of this technique since its inception is briefly traced. The comparison of extraction efficiency, thermo-dynamics and kinetics mainly involving extraction of rare earth ions between molten solvent extraction at high temperature and usualliquid-liquid extraction at room temperature are discussed in detail. The various parameters obtained from the previous and presentstudies such as equilibrium extraction constant Kex, pH1/2, thermodynamic and kinetic data are displayed in tabular form. Finally, thecurrent demands, disadvantages and future prospects are also evaluated.

  10. Water-phase palmitate concentrations in equilibrium with albumin-bound palmitate in a biological system

    DEFF Research Database (Denmark)

    Bojesen, Inge Norby; Bojesen, Eigil

    1992-01-01

    Biokemi, erythrocyte ghosts, pamitate, bovine serum albumin, long-chain fatty acids, equilibrium constants......Biokemi, erythrocyte ghosts, pamitate, bovine serum albumin, long-chain fatty acids, equilibrium constants...

  11. Supercritical CO2 extraction of essential oils from Thymus vulgaris

    Directory of Open Access Journals (Sweden)

    S.A.B. Vieira de Melo

    2000-09-01

    Full Text Available Supercritical CO2 extraction of essential oil from Thymus vulgaris leaves was studied using experimental data recently obtained in the Florys S.p.A. laboratory. Mass transfer coefficients in the supercritical and solid phases from extraction curves at 40°C and 20 MPa were evaluated using a mathematical model based on the local adsorption equilibrium of essential oil on lipid in leaves. The adsorption equilibrium constant was fitted to these experimental data, and internal and external mass transfer resistances were calculated, allowing identification of the mechanism controlling the extraction process.

  12. THE STABILITY OF LIQUID EVAPORATION EQUILIBRIUM

    OpenAIRE

    SHIMIN ZHANG

    2005-01-01

    For the evaporation of the pure liquid under the condition of constant temperature and constant external pressure, the phase equilibrium of the liquid vapor in the bubble and the liquid outside the bubble is always a kind of stable equilibrium whether there is air or not in the bubble. If there is no air in the bubble, the bubble and liquid cannot coexist in the mechanical equilibrium when the vapor pressure of the liquid in the bubble is less than or equal to the external pressure; the bubbl...

  13. Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2012-01-01

    A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…

  14. Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2012-01-01

    A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…

  15. Protonation Equilibrium of Linear Homopolyacids

    Directory of Open Access Journals (Sweden)

    Požar J.

    2015-07-01

    Full Text Available The paper presents a short summary of investigations dealing with protonation equilibrium of linear homopolyacids, in particularly those of high charge density. Apart from the review of experimental results which can be found in the literature, a brief description of theoretical models used in processing the dependence of protonation constants on monomer dissociation degree and ionic strength is given (cylindrical model based on Poisson-Boltzmann equation, cylindrical Stern model, the models according to Ising, Högfeldt, Mandel and Katchalsky. The applicability of these models regarding the polyion charge density, electrolyte concentration and counterion type is discussed. The results of Monte Carlo simulations of protonation equilibrium are also briefly mentioned. In addition, frequently encountered errors connected with calibration of of glass electrode and the related unreliability of determined protonation constants are pointed out.

  16. A Strategic-Equilibrium Based

    Directory of Open Access Journals (Sweden)

    Gabriel J. Turbay

    2011-03-01

    Full Text Available The strategic equilibrium of an N-person cooperative game with transferable utility is a system composed of a cover collection of subsets of N and a set of extended imputations attainable through such equilibrium cover. The system describes a state of coalitional bargaining stability where every player has a bargaining alternative against any other player to support his corresponding equilibrium claim. Any coalition in the sable system may form and divide the characteristic value function of the coalition as prescribed by the equilibrium payoffs. If syndicates are allowed to form, a formed coalition may become a syndicate using the equilibrium payoffs as disagreement values in bargaining for a part of the complementary coalition incremental value to the grand coalition when formed. The emergent well known-constant sum derived game in partition function is described in terms of parameters that result from incumbent binding agreements. The strategic-equilibrium corresponding to the derived game gives an equal value claim to all players.  This surprising result is alternatively explained in terms of strategic-equilibrium based possible outcomes by a sequence of bargaining stages that when the binding agreements are in the right sequential order, von Neumann and Morgenstern (vN-M non-discriminatory solutions emerge. In these solutions a preferred branch by a sufficient number of players is identified: the weaker players syndicate against the stronger player. This condition is referred to as the stronger player paradox.  A strategic alternative available to the stronger players to overcome the anticipated not desirable results is to voluntarily lower his bargaining equilibrium claim. In doing the original strategic equilibrium is modified and vN-M discriminatory solutions may occur, but also a different stronger player may emerge that has eventually will have to lower his equilibrium claim. A sequence of such measures converges to the equal

  17. Equilibrium Positions for UAV Flight by Dynamic Soaring

    Directory of Open Access Journals (Sweden)

    Bingjie Zhu

    2015-01-01

    Full Text Available Dynamic soaring is a special flying technique designed to allow UAVs (unmanned aerial vehicles to extract energy from wind gradient field and enable UAVs to increase the endurance. In order to figure out the energy-extraction mechanisms in dynamic soaring, a noninertial wind relative reference frame of aircraft is built. In the noninertial frame, there is an inertial force which is created by gradient wind field. When the wind gradient (GW and the components of airspeed (vzvx are positive, inertial force (F makes positive work to the aircraft. In the meantime, an equilibrium position theory of dynamic soaring is proposed. At the equilibrium positions, the increased potential energy is greater than the wasted kinetic energy when the aircraft is flying upwards. The mechanical energy is increased in this way, and the aircraft can store energy for flight. According to the extreme value theory, contour line figures of the maximum function and the component of airspeed (vz are obtained to find out the aircraft’s lifting balance allowance in dynamic soaring. Moreover, this equilibrium position theory can also help to conduct an aircraft to acquire energy from the environment constantly.

  18. Liquid-Liquid Equilibrium data for mono ethylene glycol extraction from water with the new ionic liquid tetraoctyl ammonium 2-methyl-1-naphtoate as solvent

    NARCIS (Netherlands)

    Garcia Chavez, L.Y.; Schuur, Boelo; de Haan, A.B.

    2012-01-01

    Thermal recovery of mono ethylene glycol (MEG) from aqueous streams is one of the most energy demanding operations in industry, because of the large amount of water that needs to be evaporated. The use of alternative technologies such as liquid–liquid extraction could save energy. A new tailor made

  19. EXTRACT

    DEFF Research Database (Denmark)

    Pafilis, Evangelos; Buttigieg, Pier Luigi; Ferrell, Barbra

    2016-01-01

    The microbial and molecular ecology research communities have made substantial progress on developing standards for annotating samples with environment metadata. However, sample manual annotation is a highly labor intensive process and requires familiarity with the terminologies used. We have the...... and text-mining-assisted curation revealed that EXTRACT speeds up annotation by 15-25% and helps curators to detect terms that would otherwise have been missed.Database URL: https://extract.hcmr.gr/....

  20. Cat's claw oxindole alkaloid isomerization induced by common extraction methods

    Directory of Open Access Journals (Sweden)

    Samuel Kaiser

    2013-01-01

    Full Text Available Cat's claw oxindole alkaloids are prone to isomerization in aqueous solution. However, studies on their behavior in extraction processes are scarce. This paper addressed the issue by considering five commonly used extraction processes. Unlike dynamic maceration (DM and ultrasound-assisted extraction, substantial isomerization was induced by static maceration, turbo-extraction and reflux extraction. After heating under reflux in DM, the kinetic order of isomerization was established and equations were fitted successfully using a four-parameter Weibull model (R² > 0.999. Different isomerization rates and equilibrium constants were verified, revealing a possible matrix effect on alkaloid isomerization.

  1. Study on the Extraction of L-Phenylalanine with Organo-phosphoric Acid in Two and Three-phase System

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Li(张莉); FU,Xun(傅洵); HU,Zheng-Shui(胡正水); LI,Qiu-Hong(李秋红); XU,Ting(徐婷)

    2002-01-01

    The extraction behaviors of L-phenylalanine by di-( 2,4,4trimethylpentyl) phosphinic acid, di-(2,4,4-trimethylpentyl)monothiophosphinic acid and di-(2-ethylhwxyl) phosphoric acid were studied in both two-phase and three-phase systems respectively. The equilibrium constants for these extraction reactions were calculated .

  2. 盐酸液中钇(Ⅲ)和铕(Ⅲ)的P507溶剂萃取平衡分析%Equilibrium analysis of solvent extraction of yttrium(Ⅲ)and europium(Ⅲ)from hydrochloric acid with P507

    Institute of Scientific and Technical Information of China (English)

    付念新; 隋智通; Mikiya TANAKA

    2011-01-01

    为了精确预测非理想条件下稀土金属溶剂萃取的平衡分配比,研究了溶于Shellsol D70中的P507溶剂对盐酸液中钇(Ⅲ)和铕(Ⅲ)的萃取平衡,建立化学基模型,并通过非线性最小二乘法确定萃取平衡常数.所建模型涉及了在低酸度区的离子交换反应和高酸度区的溶剂化萃取反应;模型还考虑了稀土金属与Cl-的配位反应,并用萃取剂的有效浓度代替[(HR)2],进而分别对水相和有机相(HR2)的非理想性加以修正.对稀土单元体系,在较宽的初始浓度范围内(稀土浓度最高至0.1 mol/L,盐酸浓度0.07-3.00 mol/L,萃取剂浓度0.25-1.00 mol/L),由模型计算的稀土分配比与实验测得的数据吻合良好,验证了模型的有效性.对于稀土二元体系,该模型能以良好的精度对平衡分配比进行工程预测.%For the accurate prediction of equilibrium distribution ratios of rare earth metals during solvent extraction under non-ideal conditions,the extraction equilibria of yttrium(Ⅲ)and europium(Ⅲ)from the hydrochloric acid solutions with P507 in Shellsoi D70 were studied.A chemically-based model was established and the extraction equilibrium constants were determined by the nonlinear least squares method.The proposed model involves the cation exchange reaction and the solvation extraction in the low and high acidity regions,respectively.In the model,the nonideality of the aqueous phase and(HR)2 was corrected by considering the complexation of the metals with(Cl-)and by replacing[(HR)2]with its effective concentration,respectively.This model was verified by fair agreement between the calculated metal distribution ratios and those experimentally obtained in the single metal systems.The feed concentrations for the systems are in wide ranges of the metal(up to 0.1 mol/L),hydrochloric acid(0.07-3.00 mol/L)and the extractant(0.25-1.00 mol/L).The model enables the engineering prediction of the equilibrium distribution ratios with good

  3. The Perils of Carbonic Acid and Equilibrium Constants.

    Science.gov (United States)

    Jencks, William P.; Altura, Rachel A.

    1988-01-01

    Discusses the effects caused by small amounts of carbon dioxide usually present in water and acid-base equilibria of dilute solutions. Notes that dilute solutions of most weak acids and bases undergo significant dissociation or protonation. (MVL)

  4. Synergistic Extraction of Lanthanides by 1-Nitroso-2-Naphthol and Trioctylphosphine Oxide in Paraffin Wax

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The paraffin wax was used as a diluent for 1-nitroso-2-naphthol(HA) and trioctylphosphine oxide(TOPO) in the extraction of lanthanides at 70℃. The composition of the extracted species was given as LnA3(TOPO)2 by means of the slope analysis. The variation of the synergistic extraction equilibrium constant(Ksex) was investigated at 60~80℃, and the thermodynamic data were calculated. The dependence of separation factors on temperature was also studied.

  5. Quantifying mixing using equilibrium reactions

    Science.gov (United States)

    Wheat, Philip M.; Posner, Jonathan D.

    2009-03-01

    A method of quantifying equilibrium reactions in a microchannel using a fluorometric reaction of Fluo-4 and Ca2+ ions is presented. Under the proper conditions, equilibrium reactions can be used to quantify fluid mixing without the challenges associated with constituent mixing measures such as limited imaging spatial resolution and viewing angle coupled with three-dimensional structure. Quantitative measurements of CaCl and calcium-indicating fluorescent dye Fluo-4 mixing are measured in Y-shaped microchannels. Reactant and product concentration distributions are modeled using Green's function solutions and a numerical solution to the advection-diffusion equation. Equilibrium reactions provide for an unambiguous, quantitative measure of mixing when the reactant concentrations are greater than 100 times their dissociation constant and the diffusivities are equal. At lower concentrations and for dissimilar diffusivities, the area averaged fluorescence signal reaches a maximum before the species have interdiffused, suggesting that reactant concentrations and diffusivities must be carefully selected to provide unambiguous, quantitative mixing measures. Fluorometric equilibrium reactions work over a wide range of pH and background concentrations such that they can be used for a wide variety of fluid mixing measures including industrial or microscale flows.

  6. 用恒压漏斗从绿茶中提取天然咖啡因的研究%Study on the Extraction of Natural Caffeine from Green Tea by Constant Pressure Funnel

    Institute of Scientific and Technical Information of China (English)

    陈秀丽; 高海荣; 李新红; 程晓兰; 孙海杰

    2016-01-01

    This study extracted natural caffeine from green tea with distilled water as solvent. It was discovered the effect factor about the extraction yield of caffeine depended on the extraction time ,the ratio of tea and water quality,the quantity of lime,the extraction device,the sublimation device and other factors. The experiment re-sults showed:the extraction yield was 1.03%when the extraction time was 1.5 hours ,the ratio of tea and water quality was 1∶8 and the concentrated liquid lime dosage was 3.5 g. Compared with traditional Soxhlet extraction device,the constant pressure funnel device not only saved the cost and energy, but also had advantages of con-venient operation and saving time;Using water as the solvent was to avoid the pollution which accorded with the idea of green chemistry;In addition, the sublimation effect of electric heating sleeve was obviously better than alcohol lamp. This method can be used in all kinds of tea caffeine extraction.%以蒸馏水为溶剂从绿茶中提取天然咖啡因,探讨提取时间、茶水质量比、生石灰加入量、浸提装置、升华装置等因素对天然咖啡因提取率的影响。结果表明:当提取时间为1.5 h、茶水质量比为1∶8、所得浓缩液中生石灰加入量为3.5 g时,咖啡因的提取率为1.03%。恒压漏斗装置与传统的Soxhlet提取器相比,不但节约了成本及能源,而且具有操作简便和节省时间等优点;试验以水为溶剂避免了污染,符合绿色化学的思想;此外用调温电热套进行升华的效果明显优于酒精灯,这种方法可在各类茶叶咖啡因的提取中推广使用。

  7. 非布索坦平衡溶解度、表观油水分配系数及解离常数的测定%Determination of equilibrium solubility, apparent oil/water partition coefficient and dissociation constant of febuxostat

    Institute of Scientific and Technical Information of China (English)

    张琪; 龚耘; 劳嘉泳; 张怡; 刘中秋; 蔡铮

    2013-01-01

    Objective: To determine equilibrium solubility ( Cs) , apparent oil/water partition coefficients (Papp) and dissociation constant (pKa) of febuxostat. Methods: Ultra performance liquid chromatography method was established to measure equilibrium solubility and logPapp of febuxostat at 37 ℃ in buffer solutions with various pH values. The pKa was determined by equilibrium solubility method and UV spectrophotometry, respectively. Results : With the rise of pH value, the Cs of febuxostat increased correspondingly, and apparent oil/water partition coefficients decreased inversely. When the pH value was 7.0, Cs was 246.4 mg·L and logPapp was 1. 19. The pKa values measured by equilibrium solubility method and UV spectrophotometry were 4. 08 and 4.07, respectively. Conclusion: Febuxostat is insoluble in acidic condition, very slight soluble in neutral condition, and slight soluble in alkaline condition; thus, it is unsuitable for intravenous injection because of the poor water solubility. However, oral administration is recommended due to, its proper lipophilicity and high permeability.%目的:测定非布索坦的平衡溶解度、表观油水分配系数及解离常数.方法:采用超高效液相色谱法测定非布索坦在37℃下不同pH值缓冲液中的平衡溶解度及表观油水分配系数,并分别通过平衡溶解度法及紫外吸光度法测定其解离常数.结果:非布索坦的平衡溶解度随缓冲液的pH值升高而增大,而表观油水分配系数则相应减小,当pH为7.0时,平衡溶解度为246.4 mg·L-1,表观油水分配系数为15.49;平衡溶解度法与紫外吸光度法测得的非布索坦的解离常数十分接近,分别为4.08与4.07.结论:非布索坦的溶解度较小,在酸性条件下几乎不溶,中性条件下极微溶解,碱性条件下微溶,不适合制备静注制剂,但由于其油水分配系数较高,具有较强的跨膜能力,可采用口服途径给药.

  8. Extraction equilibria of various metal picrates with 19-crown-6 between benzene and water. Effect of the extra methylene group on extraction ability and selectivity.

    Science.gov (United States)

    Katsuta, S; Kanazawa, M; Takeda, Y; Ouchi, M

    1999-07-12

    The overall extraction equilibrium constants (K(ex)) of picrates of Li(+), Na(+), K(+), Rb(+), Cs(+), Ag(+), Tl(+), and Sr(2+)with 19-crown-6 (19C6) were determined between benzene and water at 25 degrees C. The K(ex) values were analyzed into the constituent equilibrium constants, i.e. the extraction constant of picric acid, the distribution constant of the crown ether, the formation constant of the metal ion-crown ether complex in water, and the ion-pair extraction constant of the complex cation with the picrate anion. The effects of an extra methylene group of 19C6 on the extraction ability and selectivity are discussed in detail by comparing the constituent equilibrium constants of 19C6 with those of 18-crown-6 (18C6). The K(ex) value of 19C6 for each metal ion is lower than that of 18C6, which is mostly attributed to the higher lipophilicity of 19C6. The extraction ability of 19C6 for the univalent metal ions decreases in the order Tl(+)>K(+)>Rb(+)>Ag(+)>Cs(+)>Na(+)Li(+), which is the same as that observed for 18C6. The difference in logK(ex) between the univalent metals is generally smaller for 19C6 than for 18C6. The extraction selectivity of 19C6 is governed by the selectivity in the ion-pair extraction, whereas that of 18C6 depends on both the selectivities in the ion-pair extraction and in the complexation in water.

  9. Mathematical modeling of cadmium(II) solvent extraction from neutral and acidic chloride media using Cyanex 923 extractant as a metal carrier.

    Science.gov (United States)

    Leopold, A A; Coll, M T; Fortuny, A; Rathore, N S; Sastre, A M

    2010-10-15

    This paper describes experimental work and the mathematical modeling of solvent extraction of cadmium(II) from neutral and acidic aqueous chloride media with a Cyanex 923 extractant in Exxol D-100. Solvent extraction experiments were carried out to analyze the influence of variations in the composition of the aqueous and organic phases on the efficiency of cadmium(II) extraction. In neutral and acidic chloride conditions, the extraction of cadmium(II) by the organophosphorous extractant Cyanex 923 (L) is based on the solvation mechanism of neutral H(n)CdCl((2+n)) species and the formation of H(n)CdCl((2+n))L(q) complexes in the organic phase, where n=0, 1, 2 and q=1, 2. The mathematical model of cadmium(II) extraction was derived from the mass balances and chemical equilibria involved in the separation system. The model was computed with the Matlab software. The equilibrium parameters for metal extraction, i.e. the stability constants of the aqueous Cd-Cl complexes, the formation constants of the acidic Cd-Cl species and the metal equilibrium extraction constants, were proposed. The optimized constants were appropriate, as there was good agreement when the model was fitted to the experimental data for each of the experiments.

  10. Mathematical modeling of cadmium(II) solvent extraction from neutral and acidic chloride media using Cyanex 923 extractant as a metal carrier

    Energy Technology Data Exchange (ETDEWEB)

    Leopold, A.A., E-mail: agnieszka.leopold@upc.edu [Department of Chemical Engineering, Universitat Politecnica de Catalunya, EPSEVG, Av. Victor Balaguer s/n, 08800 Vilanova i la Geltru (Spain); Coll, M.T.; Fortuny, A.; Rathore, N.S. [Department of Chemical Engineering, Universitat Politecnica de Catalunya, EPSEVG, Av. Victor Balaguer s/n, 08800 Vilanova i la Geltru (Spain); Sastre, A.M. [Department of Chemical Engineering, Universitat Politecnica de Catalunya, ETSEIB, Av. Diagonal 647, 08028 Barcelona (Spain)

    2010-10-15

    This paper describes experimental work and the mathematical modeling of solvent extraction of cadmium(II) from neutral and acidic aqueous chloride media with a Cyanex 923 extractant in Exxol D-100. Solvent extraction experiments were carried out to analyze the influence of variations in the composition of the aqueous and organic phases on the efficiency of cadmium(II) extraction. In neutral and acidic chloride conditions, the extraction of cadmium(II) by the organophosphorous extractant Cyanex 923 (L) is based on the solvation mechanism of neutral H{sub n}CdCl{sub (2+n)} species and the formation of H{sub n}CdCl{sub (2+n)}L{sub q} complexes in the organic phase, where n = 0, 1, 2 and q = 1, 2. The mathematical model of cadmium(II) extraction was derived from the mass balances and chemical equilibria involved in the separation system. The model was computed with the Matlab software. The equilibrium parameters for metal extraction, i.e. the stability constants of the aqueous Cd-Cl complexes, the formation constants of the acidic Cd-Cl species and the metal equilibrium extraction constants, were proposed. The optimized constants were appropriate, as there was good agreement when the model was fitted to the experimental data for each of the experiments.

  11. Morphodynamic equilibrium of alluvial estuaries

    Science.gov (United States)

    Tambroni, Nicoletta; Bolla Pittaluga, Michele; Canestrelli, Alberto; Lanzoni, Stefano; Seminara, Giovanni

    2014-05-01

    The evolution of the longitudinal bed profile of an estuary, with given plan-form configuration, subject to given tidal forcing at the mouth and prescribed values of water and sediment supply from the river is investigated numerically. Our main goal is to ascertain whether, starting from some initial condition, the bed evolution tends to reach a unique equilibrium configuration asymptotically in time. Also, we investigate the morphological response of an alluvial estuary to changes in the tidal range and hydrologic forcing (flow and sediment supply). Finally, the solution helps characterizing the transition between the fluvially dominated region and the tidally dominated region of the estuary. All these issues play an important role also in interpreting how the facies changes along the estuary, thus helping to make correct paleo-environmental and sequence-stratigraphic interpretations of sedimentary successions (Dalrymple and Choi, 2007). Results show that the model is able to describe a wide class of settings ranging from tidally dominated estuaries to fluvially dominated estuaries. In the latter case, the solution is found to compare satisfactory with the analytical asymptotic solution recently derived by Seminara et al. (2012), under the hypothesis of fairly 'small' tidal oscillations. Simulations indicate that the system always moves toward an equilibrium configuration in which the net sediment flux in a tidal cycle is constant throughout the estuary and equal to the constant sediment flux discharged from the river. For constant width, the bed equilibrium profile of the estuarine channel is characterized by two distinct regions: a steeper reach seaward, dominated by the tide, and a less steep upstream reach, dominated by the river and characterized by the undisturbed bed slope. Although the latter reach, at equilibrium, is not directly affected by the tidal wave, however starting from an initial uniform stream with the constant 'fluvial' slope, the final

  12. ON VECTOR NETWORK EQUILIBRIUM PROBLEMS

    Institute of Scientific and Technical Information of China (English)

    Guangya CHEN

    2005-01-01

    In this paper we define a concept of weak equilibrium for vector network equilibrium problems.We obtain sufficient conditions of weak equilibrium points and establish relation with vector network equilibrium problems and vector variational inequalities.

  13. Phase equilibrium engineering

    CERN Document Server

    Brignole, Esteban Alberto

    2013-01-01

    Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and

  14. Solvent extraction of uranium(Ⅵ)and europium(Ⅲ)from nitrate media by picolinamide

    Institute of Scientific and Technical Information of China (English)

    BAO Bo-Rong; CHENG Qian; CAO Wei-Guo; XIANG Qun; LI Yu; ZHAO Yu-Jia

    2005-01-01

    The solvent extraction of uranium(Ⅵ) and europium(Ⅲ) from nitric acid solution was studied with picolinamide dissolved in ethylene dichloride. The distribution ratios of U(Ⅵ) and Eu(Ⅲ) as a function of aqueous HNO3 concentration, extractant concentration in organic phase and temperature as well as the salting-out agent concentration have been measured. The experiment results show that picolinamide has higher extractability for U(Ⅵ1)than for Eu(Ⅲ). The composition of extracted species, equilibrium constants and enthalpies of extraction reaction have also been presented.

  15. On equilibrium structures of the water molecule

    Science.gov (United States)

    Császár, Attila G.; Czakó, Gábor; Furtenbacher, Tibor; Tennyson, Jonathan; Szalay, Viktor; Shirin, Sergei V.; Zobov, Nikolai F.; Polyansky, Oleg L.

    2005-06-01

    Equilibrium structures are fundamental entities in molecular sciences. They can be inferred from experimental data by complicated inverse procedures which often rely on several assumptions, including the Born-Oppenheimer approximation. Theory provides a direct route to equilibrium geometries. A recent high-quality ab initio semiglobal adiabatic potential-energy surface (PES) of the electronic ground state of water, reported by Polyansky et al. [Polyansky et al.Science 299, 539 (2003)] and called CVRQD here, is analyzed in this respect. The equilibrium geometries resulting from this direct route are deemed to be of higher accuracy than those that can be determined by analyzing experimental data. Detailed investigation of the effect of the breakdown of the Born-Oppenheimer approximation suggests that the concept of an isotope-independent equilibrium structure holds to about 3×10-5Å and 0.02° for water. The mass-independent [Born-Oppenheimer (BO)] equilibrium bond length and bond angle on the ground electronic state PES of water is reBO=0.95782Å and θeBO=104.485°, respectively. The related mass-dependent (adiabatic) equilibrium bond length and bond angle of H2O16 is read=0.95785Å and θead=104.500°, respectively, while those of D2O16 are read=0.95783Å and θead=104.490°. Pure ab initio prediction of J =1 and 2 rotational levels on the vibrational ground state by the CVRQD PESs is accurate to better than 0.002cm-1 for all isotopologs of water considered. Elaborate adjustment of the CVRQD PESs to reproduce all observed rovibrational transitions to better than 0.05cm-1 (or the lower ones to better than 0.0035cm-1) does not result in noticeable changes in the adiabatic equilibrium structure parameters. The expectation values of the ground vibrational state rotational constants of the water isotopologs, computed in the Eckart frame using the CVRQD PESs and atomic masses, deviate from the experimentally measured ones only marginally, especially for A0 and B0. The

  16. Stoichiometry and Formation Constant Determination by Linear Sweep Voltammetry.

    Science.gov (United States)

    Schultz, Franklin A.

    1979-01-01

    In this paper an experiment is described in which the equilibrium constants necessary for determining the composition and distribution of lead (II)-oxalate species may be measured by linear sweep voltammetry. (Author/BB)

  17. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    Energy Technology Data Exchange (ETDEWEB)

    Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Department of Applied Physics, Stanford University, Stanford, California 94305, USA; Trigo, M. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Reid, A. H. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Li, R. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Vecchione, T. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Shen, X. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Weathersby, S. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Coffee, R. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Hartmann, N. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Department of Applied Physics, Stanford University, Stanford, California 94305, USA; PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  18. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    Energy Technology Data Exchange (ETDEWEB)

    Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Trigo, M.; Reid, A. H.; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Li, R.; Vecchione, T.; Shen, X.; Weathersby, S.; Coffee, R.; Hartmann, N.; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  19. A relation between diffusion,temperature and the cosmological constant

    CERN Document Server

    Haba, Z

    2016-01-01

    We show that the temperature of a diffusing fluid with the diffusion constant \\kappa^{2} in an expanding universe approaches a constant limit T=\\kappa^{2}/H in its final de Sitter stage characterized by the horizon 1/H determined by the Hubble constant. If de Sitter surface temperature in the final equilibrium state coincides with the fluid temperature then the cosmological constant \\Lambda=3H^{2}=6\\pi\\kappa^{2}.

  20. Extraction of rubidium by t-BAMBP in cyclohexane

    Institute of Scientific and Technical Information of China (English)

    Jiawei Wang; Dehua Che; Wei Qin

    2015-01-01

    4-Tert-butyl-2-(α-methylbenzyl) phenol (t-BAMBP) was used in cyclohexane in the extraction of rubidium from brine sources containing lithium. The effect of t-BAMBP concentration and aqueous phase pH on the rubidium and lithium extraction equilibrium was studied. t-BAMBP/cyclohexane was efficient and selective for rubidium extraction with optimal operating conditions being pH of 13.0 and initial t-BAMBP concentration of 1.0 mol·L−1. The stoichiometry of the complex of t-BAMBP with rubidium is 4:1. The apparent extraction equilibrium constant of rubidium was calculated by fitting the experimental data.

  1. Beat the equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Berty, J.M.; Krishnan, C.; Elliott, J.R. Jr. (Berty Reaction Engineers, Ltd. (USA))

    1990-10-01

    Methanol is synthesised catalytically from H{sub 2}, CO and CO{sub 2}. Equilibrium considerations dictated the use of high pressures until the advent of copper-based catalysts. But equilibrium problems still exist; single pass conversions of CO and H{sub 2} are low, typically 30-40%. A solvent methanol process (SMP) is proposed to overcome existing problems. A high-boiling inert solvent is introduced with the synthesis gas. The solvent selectively absorbs CH{sub 3}OH, thus shifting the equilibrium towards the product. The strongest solvent identified and tested is tetraethyleneglycol dimethyl ether (tetraglyme). 24 refs., 4 figs., 2 tabs.

  2. Influence of the amine salt anion on the synergic solvent extraction of praseodymium with mixtures of chelating extractants and tridodecylamine

    Energy Technology Data Exchange (ETDEWEB)

    Dukov, I.L.; Jordanov, V.M. [Higher Inst. of Chemical Technology, Sofia (Bulgaria)

    1995-11-01

    The solvent extraction of Pr with thenoyltrifluoroacetone, (HTTA) or 1-phenyl-3-methyl-4-benzoyl-pyrazol-5-one(HP) and tridodecylammonium salt (TDAHA,A{sup -} = Cl{sup -},NO{sub 3}{sup -}, ClO{sub 4}{sup -}) in C{sub 6}H{sub 6} has been studied. The composition of the extracted species has been determined as Pr(TTA){sub 3} TDAHA and TDAH{sup +}[PrP{sub 4}]{sup -}. The values of the equilibrium constants, have been calculated. The extraction mechanism has been discussed on the basis of the experimental data. 34 refs., 6 figs., 2 tabs.

  3. An analytical model of crater count equilibrium

    Science.gov (United States)

    Hirabayashi, Masatoshi; Minton, David A.; Fassett, Caleb I.

    2017-06-01

    Crater count equilibrium occurs when new craters form at the same rate that old craters are erased, such that the total number of observable impacts remains constant. Despite substantial efforts to understand this process, there remain many unsolved problems. Here, we propose an analytical model that describes how a heavily cratered surface reaches a state of crater count equilibrium. The proposed model formulates three physical processes contributing to crater count equilibrium: cookie-cutting (simple, geometric overlap), ejecta-blanketing, and sandblasting (diffusive erosion). These three processes are modeled using a degradation parameter that describes the efficiency for a new crater to erase old craters. The flexibility of our newly developed model allows us to represent the processes that underlie crater count equilibrium problems. The results show that when the slope of the production function is steeper than that of the equilibrium state, the power law of the equilibrium slope is independent of that of the production function slope. We apply our model to the cratering conditions in the Sinus Medii region and at the Apollo 15 landing site on the Moon and demonstrate that a consistent degradation parameterization can successfully be determined based on the empirical results of these regions. Further developments of this model will enable us to better understand the surface evolution of airless bodies due to impact bombardment.

  4. Thermodynamics "beyond" local equilibrium

    Science.gov (United States)

    Vilar, Jose; Rubi, Miguel

    2002-03-01

    Nonequilibrium thermodynamics has shown its applicability in a wide variety of different situations pertaining to fields such as physics, chemistry, biology, and engineering. As successful as it is, however, its current formulation considers only systems close to equilibrium, those satisfying the so-called local equilibrium hypothesis. Here we show that diffusion processes that occur far away from equilibrium can be viewed as at local equilibrium in a space that includes all the relevant variables in addition to the spatial coordinate. In this way, nonequilibrium thermodynamics can be used and the difficulties and ambiguities associated with the lack of a thermodynamic description disappear. We analyze explicitly the inertial effects in diffusion and outline how the main ideas can be applied to other situations. [J.M.G. Vilar and J.M. Rubi, Proc. Natl. Acad. Sci. USA 98, 11081-11084 (2001)].

  5. Non-equilibrium Economics

    Directory of Open Access Journals (Sweden)

    Katalin Martinás

    2007-02-01

    Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

  6. Response reactions: equilibrium coupling.

    Science.gov (United States)

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  7. Equilibrium statistical mechanics

    CERN Document Server

    Mayer, J E

    1968-01-01

    The International Encyclopedia of Physical Chemistry and Chemical Physics, Volume 1: Equilibrium Statistical Mechanics covers the fundamental principles and the development of theoretical aspects of equilibrium statistical mechanics. Statistical mechanical is the study of the connection between the macroscopic behavior of bulk matter and the microscopic properties of its constituent atoms and molecules. This book contains eight chapters, and begins with a presentation of the master equation used for the calculation of the fundamental thermodynamic functions. The succeeding chapters highlight t

  8. Extraction of nitric acid, uranyl nitrate, and bismuth nitrate from aqueous nitric acid solutions with CMPO

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, B.B.

    1995-08-01

    DOE sponsored development of the transuranium extraction (TRUEX) process for removing actinides from radioactive wastes. The solvent is a mixture of CMPO and TBP. Since the extraction characteristics of CMPO are not as well understood as those of TBP, the extraction of nitric acid, uranyl nitrate, and bismuth nitrate with CMPO (dissolved in n-dodecane) were studied. Results indicate that CMPO extracts nitric acid with a 1:1 stoichiometry; equilibrium constant is 2. 660{plus_minus}0.092 at 25 C, and extraction enthalpy is -5. 46{plus_minus}0.46 kcal/mol. Slope analysis indicates that uranyl nitrate extracts with a mixed equilibria of 1:1 and 2:1 stoichiometries in nearly equal proportion. Equil. constant of the 2: 1 extraction was 1.213 {times} 10{sup 6}{plus_minus}3.56 {times} 10{sup 4} at 25 C; reaction enthalpy was -9.610{plus_minus}0.594 kcal/mol. Nitration complexation constant is 8.412{plus_minus}0.579, with an enthalpy of -10.72{plus_minus}1.87 kcal/mol. Bismuth nitrate also extracts with a mixed equilibria of (perhaps) 1:1 and 2:1 stoichiometries. A 2:1 extraction equilibrium and a nitrate complexation adequately model the data. Kinetics and enthalpies were also measured.

  9. Correlation between aggregation and extracting properties in solvent extraction systems: extraction of actinides (III) and lanthanides (III) by a malonamide in non acidic media

    Energy Technology Data Exchange (ETDEWEB)

    Meridiano, Y.; Berthon, L.; Lagrave, S.; Crozes, X.; Sorel, C.; Testard, F.; Zemb, T. [CEA Marcoule, DEN/DRCP/SCPS/LCSE, 30207Bagnols sur Ceze (France)

    2008-07-01

    The organic phases of the DIAMEX (Diamide Extraction) process, allowing the co-extraction of actinides(III) and lanthanides(III) from high level radioactive wastes using a malonamide extractant molecule (DMDOHEMA) diluted in alkanes, are investigated. The aim of this study is to establish a link between different structures/organizations of diamide extractants and their extracting properties towards An(III) and Ln(III) cations. It is demonstrated that diamide, which are amphiphilic molecules, are organized in different structures (monomers, reverse micelles, lamellar phases..). This study deals with the effect of the composition of the extracting system on the extracting and aggregation properties of the DMDOHEMA solutions. The effects of the extractant (DMDOHEMA diluted in n-heptane) and metal concentrations (for a given extractant concentration) from a LiNO{sub 3} aqueous phase are investigated at two scales: at the supra-molecular scale by characterizing the aggregation by vapor-pressure osmometry (VPO) and small angle neutron and X-ray scattering (SANS and SAXS) experiments, and at the molecular scale by quantifying the extracted solutes (metal nitrate and water) and by determining the stoichiometries of the extracted complexes by electro-spray mass spectrometry (ESI-MS). The extraction equilibria can then be modeled by two approaches: a classical approach in solvent extraction based on mass action laws to determine extraction equilibria and their associated thermodynamic constants, and a physical chemical approach which consists in considering the extracted ions as adsorbed on a specific available surface of the extractant molecule. Thus, the extraction equilibrium can be considered as a sum of Langmuir isotherms corresponding to the different states of aggregation. The resulting constants are representative of both extraction efficiency and organic phase structure. (authors)

  10. Investigation of Chemical Equilibrium Kinetics by the Electromigration Method

    CERN Document Server

    Bozhikov, G A; Bontchev, G D; Maslov, O D; Milanov, M V; Dmitriev, S N

    2002-01-01

    Measurement of the chemical reaction rates for complex formation as well as hydrolysis type reactions by the method of horizontal zone electrophoresis is outlined. The correlation between chemical equilibrium kinetics and electrodiffusion processes in a constant d.c. electric field is described. In model electromigration experiments the reaction rate constant of the complex formation of Hf(IV) and DTPA is determined.

  11. Cosmological Constant, Fine Structure Constant and Beyond

    CERN Document Server

    Wei, Hao; Li, Hong-Yu; Xue, Dong-Ze

    2016-01-01

    In this work, we consider the cosmological constant model $\\Lambda\\propto\\alpha^{-6}$, which is well motivated from three independent approaches. As is well known, the evidence of varying fine structure constant $\\alpha$ was found in 1998. If $\\Lambda\\propto\\alpha^{-6}$ is right, it means that the cosmological constant $\\Lambda$ should be also varying. In this work, we try to develop a suitable framework to model this varying cosmological constant $\\Lambda\\propto\\alpha^{-6}$, in which we view it from an interacting vacuum energy perspective. We propose two types of models to describe the evolutions of $\\Lambda$ and $\\alpha$. Then, we consider the observational constraints on these models, by using the 293 $\\Delta\\alpha/\\alpha$ data from the absorption systems in the spectra of distant quasars, and the data of type Ia supernovae (SNIa), cosmic microwave background (CMB), baryon acoustic oscillation (BAO). We find that the model parameters can be tightly constrained to the narrow ranges of ${\\cal O}(10^{-5})$ t...

  12. Equilibrium games in networks

    Science.gov (United States)

    Li, Angsheng; Zhang, Xiaohui; Pan, Yicheng; Peng, Pan

    2014-12-01

    It seems a universal phenomenon of networks that the attacks on a small number of nodes by an adversary player Alice may generate a global cascading failure of the networks. It has been shown (Li et al., 2013) that classic scale-free networks (Barabási and Albert, 1999, Barabási, 2009) are insecure against attacks of as small as O(logn) many nodes. This poses a natural and fundamental question: Can we introduce a second player Bob to prevent Alice from global cascading failure of the networks? We proposed a game in networks. We say that a network has an equilibrium game if the second player Bob has a strategy to balance the cascading influence of attacks by the adversary player Alice. It was shown that networks of the preferential attachment model (Barabási and Albert, 1999) fail to have equilibrium games, that random graphs of the Erdös-Rényi model (Erdös and Rényi, 1959, Erdös and Rényi, 1960) have, for which randomness is the mechanism, and that homophyly networks (Li et al., 2013) have equilibrium games, for which homophyly and preferential attachment are the underlying mechanisms. We found that some real networks have equilibrium games, but most real networks fail to have. We anticipate that our results lead to an interesting new direction of network theory, that is, equilibrium games in networks.

  13. Immunity by equilibrium.

    Science.gov (United States)

    Eberl, Gérard

    2016-08-01

    The classical model of immunity posits that the immune system reacts to pathogens and injury and restores homeostasis. Indeed, a century of research has uncovered the means and mechanisms by which the immune system recognizes danger and regulates its own activity. However, this classical model does not fully explain complex phenomena, such as tolerance, allergy, the increased prevalence of inflammatory pathologies in industrialized nations and immunity to multiple infections. In this Essay, I propose a model of immunity that is based on equilibrium, in which the healthy immune system is always active and in a state of dynamic equilibrium between antagonistic types of response. This equilibrium is regulated both by the internal milieu and by the microbial environment. As a result, alteration of the internal milieu or microbial environment leads to immune disequilibrium, which determines tolerance, protective immunity and inflammatory pathology.

  14. Physical Basis for a Constant Lag Time

    CERN Document Server

    Socrates, Aristotle

    2012-01-01

    We show that the constant time lag prescription for tidal dissipation follows directly from the equations of motion of a tidally-forced fluid body, given some basic assumptions. They are (i) the equilibrium structure of the forced body is spherically-symmetric (ii) the tidal forcing is weak and non-resonant (iii) dissipation is weak. The lag time is an intrinsic property of the tidally-forced body and is independent of the orbital configuration.

  15. Blood: bone equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Neuman, M.W.

    1982-01-01

    The conundrum of blood undersaturation with respect to bone mineralization and its supersaturation with respect to bone's homeostatic function has acquired a new equation. On the supply side, Ca/sup 2 +/ is pumped in across bone cells to provide the needed Ca/sup 2 +/ x P/sub i/ for brushite precipitation. On the demand side, blood is in equilibrium with bone fluid, which is in equilibrium with a mineral more soluble than apatite. The function of potassium in this equation is yet to be found.

  16. Equilibrium CO bond lengths

    Science.gov (United States)

    Demaison, Jean; Császár, Attila G.

    2012-09-01

    Based on a sample of 38 molecules, 47 accurate equilibrium CO bond lengths have been collected and analyzed. These ultimate experimental (reEX), semiexperimental (reSE), and Born-Oppenheimer (reBO) equilibrium structures are compared to reBO estimates from two lower-level techniques of electronic structure theory, MP2(FC)/cc-pVQZ and B3LYP/6-311+G(3df,2pd). A linear relationship is found between the best equilibrium bond lengths and their MP2 or B3LYP estimates. These (and similar) linear relationships permit to estimate the CO bond length with an accuracy of 0.002 Å within the full range of 1.10-1.43 Å, corresponding to single, double, and triple CO bonds, for a large number of molecules. The variation of the CO bond length is qualitatively explained using the Atoms in Molecules method. In particular, a nice correlation is found between the CO bond length and the bond critical point density and it appears that the CO bond is at the same time covalent and ionic. Conditions which permit the computation of an accurate ab initio Born-Oppenheimer equilibrium structure are discussed. In particular, the core-core and core-valence correlation is investigated and it is shown to roughly increase with the bond length.

  17. Determination of the Vibrational Constants of Some Diatomic Molecules: A Combined Infrared Spectroscopic and Quantum Chemical Third Year Chemistry Project.

    Science.gov (United States)

    Ford, T. A.

    1979-01-01

    In one option for this project, the rotation-vibration infrared spectra of a number of gaseous diatomic molecules were recorded, from which the fundamental vibrational wavenumber, the force constant, the rotation-vibration interaction constant, the equilibrium rotational constant, and the equilibrium internuclear distance were determined.…

  18. Generalized Pickands constants

    NARCIS (Netherlands)

    Debicki, K.G.

    2001-01-01

    Pickands constants play an important role in the exact asymptotic of extreme values for Gaussian stochastic processes. By the {it generalized Pickands constant ${cal H_{eta$ we mean the limit begin{eqnarray* {cal H_{eta= lim_{T to inftyfrac{ {cal H_{eta(T){T, end{eqnarray* where ${cal H_{eta(T)= Exp

  19. Solvent extraction of uranium(VI) and thorium(IV) from nitrate media by Cyanex 923

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, S.K.; Chakravortty, V. [Utkal Univ., Bhubaneswar (India). Dept. of Chemistry; Reddy, M.L.P.; Ramamohan, T.R. [Regional Research Lab. (CSIR), Trivandum (India)

    2000-07-01

    The extraction behaviour of uranium(VI) and thorium(IV) from nitrate solutions has been investigated using Cyanex 923 (TRPO) in xylene as an extractant. The extraction data have been analyzed by both graphical and theoretical methods by taking into account complexation of the metal ion in the aqueous phase with inorganic ligands and all plausible complexes extracted into the organic phase. The results demonstrate that these metal ions are extracted into xylene as Th(NO{sub 3}){sub 4} . 2 TRPO and UO{sub 2}(NO{sub 3}){sub 2} . 2 TRPO. The equilibrium constants of the extracted complexes have been deduced by non-linear regression analysis. Infrared spectral data of the extracted complexes have been used to further clarify the nature of the complexes. The selectivities between these metal ions were evaluated and compared with commercially important extractants like tri-n-butylphosphate (TBP). (orig.)

  20. Problems in equilibrium theory

    CERN Document Server

    Aliprantis, Charalambos D

    1996-01-01

    In studying General Equilibrium Theory the student must master first the theory and then apply it to solve problems. At the graduate level there is no book devoted exclusively to teaching problem solving. This book teaches for the first time the basic methods of proof and problem solving in General Equilibrium Theory. The problems cover the entire spectrum of difficulty; some are routine, some require a good grasp of the material involved, and some are exceptionally challenging. The book presents complete solutions to two hundred problems. In searching for the basic required techniques, the student will find a wealth of new material incorporated into the solutions. The student is challenged to produce solutions which are different from the ones presented in the book.

  1. Bounded Computational Capacity Equilibrium

    CERN Document Server

    Hernandez, Penelope

    2010-01-01

    We study repeated games played by players with bounded computational power, where, in contrast to Abreu and Rubisntein (1988), the memory is costly. We prove a folk theorem: the limit set of equilibrium payoffs in mixed strategies, as the cost of memory goes to 0, includes the set of feasible and individually rational payoffs. This result stands in sharp contrast to Abreu and Rubisntein (1988), who proved that when memory is free, the set of equilibrium payoffs in repeated games played by players with bounded computational power is a strict subset of the set of feasible and individually rational payoffs. Our result emphasizes the role of memory cost and of mixing when players have bounded computational power.

  2. General Search Market Equilibrium

    OpenAIRE

    Albrecht, James W.; Axell, Bo

    1982-01-01

    In this paper we extend models of “search market equilibrium” to incorporate general equilibrium considerations. The model we treat is one with a single product market and a single labor market. Imperfectly informed individuals follow optimal strategies in searching for a suitably low price and high wage. For any distribution of price and wage offers across firms these optimal strategies generate product demand and labor supply schedules. Firms then choose prices and wages to maximize expecte...

  3. Equilibrium statistical mechanics

    CERN Document Server

    Jackson, E Atlee

    2000-01-01

    Ideal as an elementary introduction to equilibrium statistical mechanics, this volume covers both classical and quantum methodology for open and closed systems. Introductory chapters familiarize readers with probability and microscopic models of systems, while additional chapters describe the general derivation of the fundamental statistical mechanics relationships. The final chapter contains 16 sections, each dealing with a different application, ordered according to complexity, from classical through degenerate quantum statistical mechanics. Key features include an elementary introduction t

  4. Volatility in Equilibrium

    DEFF Research Database (Denmark)

    Bollerslev, Tim; Sizova, Natalia; Tauchen, George

    Stock market volatility clusters in time, carries a risk premium, is fractionally inte- grated, and exhibits asymmetric leverage effects relative to returns. This paper develops a first internally consistent equilibrium based explanation for these longstanding empirical facts. The model is cast......, and the dynamic cross-correlations of the volatility measures with the returns calculated from actual high-frequency intra-day data on the S&P 500 aggregate market and VIX volatility indexes....

  5. Tourism Equilibrium Price Trends

    Directory of Open Access Journals (Sweden)

    Mohammad Mohebi

    2012-01-01

    Full Text Available Problem statement: A review of the tourism history shows that tourism as an industry was virtually unknown in Malaysia until the late 1960s. Since then, it has developed and grown into a major industry, making an important contribution to the country's economy. By allocating substantial funds to the promotion of tourism and the provision of the necessary infrastructure, the government has played an important role in the impressive progress of the Malaysian tourism industry. One of the important factors which can attract tourists to Malaysia is the tourism price. Has the price of tourism decreased? To answer this question, it is necessary to obtain the equilibrium prices as well as the yearly trend for Malaysia during the sample period as it will be useful for analysis of the infrastructure situation of the tourism industry in this country. The purpose of the study is to identify equilibrium tourism price trends in Malaysian tourism market. Approach: We use hotel room as representative of tourism market. Quarterly data from 1995-2009 are used and a dynamic model of simultaneous equation is employed. Results: Based on the result during the period of 1995 until 2000, the growth rate of the equilibrium price was greater than consumer price index and producer price index. Conclusion: In the Malaysian tourism market, new infrastructure during this period had not been developed to keep pace with tourist arrivals.

  6. Noncompact Equilibrium Points and Applications

    Directory of Open Access Journals (Sweden)

    Zahra Al-Rumaih

    2012-01-01

    Full Text Available We prove an equilibrium existence result for vector functions defined on noncompact domain and we give some applications in optimization and Nash equilibrium in noncooperative game.

  7. Dynamical Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Giovanni Ciccotti

    2013-12-01

    Full Text Available In this review, we discuss the Dynamical approach to Non-Equilibrium Molecular Dynamics (D-NEMD, which extends stationary NEMD to time-dependent situations, be they responses or relaxations. Based on the original Onsager regression hypothesis, implemented in the nineteen-seventies by Ciccotti, Jacucci and MacDonald, the approach permits one to separate the problem of dynamical evolution from the problem of sampling the initial condition. D-NEMD provides the theoretical framework to compute time-dependent macroscopic dynamical behaviors by averaging on a large sample of non-equilibrium trajectories starting from an ensemble of initial conditions generated from a suitable (equilibrium or non-equilibrium distribution at time zero. We also discuss how to generate a large class of initial distributions. The same approach applies also to the calculation of the rate constants of activated processes. The range of problems treatable by this method is illustrated by discussing applications to a few key hydrodynamic processes (the “classical” flow under shear, the formation of convective cells and the relaxation of an interface between two immiscible liquids.

  8. Radial equilibrium of relativistic particle bunches in plasma wakefield accelerators

    CERN Document Server

    Lotov, K V

    2016-01-01

    Drive particle beams in linear or weakly nonlinear regimes of the plasma wakefield accelerator quickly reach a radial equilibrium with the wakefield, which is described in detail for the first time. The equilibrium beam state and self-consistent wakefields are obtained by combining analytical relationships, numerical integration, and first-principle simulations. In the equilibrium state, the beam density is strongly peaked near the axis, the beam radius is constant along the beam, and longitudinal variation of the focusing strength is balanced by varying beam emittance. The transverse momentum distribution of beam particles depends on the observation radius and is neither separable, nor Gaussian.

  9. Chemical equilibrium. [maximizing entropy of gas system to derive relations between thermodynamic variables

    Science.gov (United States)

    1976-01-01

    The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

  10. Solvent extraction bis (the 2- ethylhexyl) phosphoric acid catecholamine structural property quantitative correlation; Bisu (2-echiruhekishiru) rinsan wo mochiita katekoru amin rui no yobai chushutsu to teiryoteki kozo bussho sokan

    Energy Technology Data Exchange (ETDEWEB)

    Yoshizuka, Kazuharu [Saga University, Saga (Japan); Fujimoto, Yuko; Owatari, Keisuke; Inoue, Katsutoshi

    1999-03-05

    As a basic research of separation and refinement of catecholamine (CA) by solvent extraction method which is chemical messenger of central neuron in the internal, it was extracted from dopamine (DA), adrenalin (Ad) and in hydrochloric acid aqueous solution of noradrenaline (NA). Then, each solution of chloroform. Hexane and toluene of bis (the 2 - ethylhexyl) phosphoric acid (D2EHPA) was used in respect of the stripping. All CA is CA by D2EHPA in mechanism of ion exchange: It was clarified that it was extracted as D2EHPA=1:4 complex and the extraction equilibrium constant was obtained. In addition, the consideration by molecule modeling considering the solvent effect of continuous medium types using semi-experience molecular orbital method by quantitative structural property correlation (QSPR) was carried out on got extraction equilibrium constant. (translated by NEDO)

  11. Extended Mixed Vector Equilibrium Problems

    Directory of Open Access Journals (Sweden)

    Mijanur Rahaman

    2014-01-01

    Full Text Available We study extended mixed vector equilibrium problems, namely, extended weak mixed vector equilibrium problem and extended strong mixed vector equilibrium problem in Hausdorff topological vector spaces. Using generalized KKM-Fan theorem (Ben-El-Mechaiekh et al.; 2005, some existence results for both problems are proved in noncompact domain.

  12. Modeling of equilibrium hollow objects stabilized by electrostatics.

    Science.gov (United States)

    Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K

    2011-05-18

    The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

  13. Modeling of equilibrium hollow objects stabilized by electrostatics

    Energy Technology Data Exchange (ETDEWEB)

    Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K, E-mail: w.k.kegel@uu.nl [Van' t Hoff Laboratory for Physical and Colloid Chemistry, Debye Institute, Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands)

    2011-05-18

    The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

  14. Variation of Fundamental Constants

    Science.gov (United States)

    Flambaum, V. V.

    2006-11-01

    Theories unifying gravity with other interactions suggest temporal and spatial variation of the fundamental ``constants'' in expanding Universe. The spatial variation can explain a fine tuning of the fundamental constants which allows humans (and any life) to appear. We appeared in the area of the Universe where the values of the fundamental constants are consistent with our existence. We present a review of recent works devoted to the variation of the fine structure constant α, strong interaction and fundamental masses. There are some hints for the variation in quasar absorption spectra. Big Bang nucleosynthesis, and Oklo natural nuclear reactor data. A very promising method to search for the variation of the fundamental constants consists in comparison of different atomic clocks. Huge enhancement of the variation effects happens in transition between accidentally degenerate atomic and molecular energy levels. A new idea is to build a ``nuclear'' clock based on the ultraviolet transition between very low excited state and ground state in Thorium nucleus. This may allow to improve sensitivity to the variation up to 10 orders of magnitude! Huge enhancement of the variation effects is also possible in cold atomic and molecular collisions near Feshbach resonance.

  15. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds

    1984-01-01

    The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

  16. Equilibrium policies when preferences are time inconsistent

    CERN Document Server

    Ekeland, Ivar

    2008-01-01

    This paper characterizes differentiable and subgame Markov perfect equilibria in a continuous time intertemporal decision problem with non-constant discounting. Capturing the idea of non commitment by letting the commitment period being infinitesimally small, we characterize the equilibrium strategies by a value function, which must satisfy a certain equation. The equilibrium equation is reminiscent of the classical Hamilton-Jacobi-Bellman equation of optimal control, but with a non-local term leading to differences in qualitative behavior. As an application, we formulate an overlapping generations Ramsey model where the government maximizes a utilitarian welfare function defined as the discounted sum of successive generations' lifetime utilities. When the social discount rate is different from the private discount rate, the optimal command allocation is time inconsistent and we retain subgame perfection as a principle of intergenerational equity. Existence of multiple subgame perfect equilibria is establishe...

  17. Cosmic curvature from de Sitter equilibrium cosmology.

    Science.gov (United States)

    Albrecht, Andreas

    2011-10-01

    I show that the de Sitter equilibrium cosmology generically predicts observable levels of curvature in the Universe today. The predicted value of the curvature, Ω(k), depends only on the ratio of the density of nonrelativistic matter to cosmological constant density ρ(m)(0)/ρ(Λ) and the value of the curvature from the initial bubble that starts the inflation, Ω(k)(B). The result is independent of the scale of inflation, the shape of the potential during inflation, and many other details of the cosmology. Future cosmological measurements of ρ(m)(0)/ρ(Λ) and Ω(k) will open up a window on the very beginning of our Universe and offer an opportunity to support or falsify the de Sitter equilibrium cosmology.

  18. Elastic constants of calcite

    Science.gov (United States)

    Peselnick, L.; Robie, R.A.

    1962-01-01

    The recent measurements of the elastic constants of calcite by Reddy and Subrahmanyam (1960) disagree with the values obtained independently by Voigt (1910) and Bhimasenachar (1945). The present authors, using an ultrasonic pulse technique at 3 Mc and 25??C, determined the elastic constants of calcite using the exact equations governing the wave velocities in the single crystal. The results are C11=13.7, C33=8.11, C44=3.50, C12=4.82, C13=5.68, and C14=-2.00, in units of 1011 dyncm2. Independent checks of several of the elastic constants were made employing other directions and polarizations of the wave velocities. With the exception of C13, these values substantially agree with the data of Voigt and Bhimasenachar. ?? 1962 The American Institute of Physics.

  19. Static versus dynamic analysis of the influence of gravity on concentration non-equilibrium fluctuations.

    Science.gov (United States)

    Croccolo, Fabrizio; Bataller, Henri; Scheffold, Frank

    2014-11-01

    In a binary fluid mixture subject to gravity and a stabilizing concentration gradient, concentration non-equilibrium fluctuations are long-ranged. While the gradient leads to an enhancement of the respective equilibrium fluctuations, the effect of gravity is a damping of fluctuations larger than a "characteristic" size. This damping is visible both in the fluctuation power spectrum probed by static and the temporal correlation function probed by dynamic light scattering. One aspect of the "characteristic" size can be appreciated by the dynamic analysis; in fact at the corresponding "characteristic" wave vector q* one can observe a maximum of the fluctuation time constant indicating the more persistent fluctuation of the system. Also in the static analysis a "characteristic" size can be extracted from the crossover wave vector. According to common theoretical concepts, the result should be the same in both cases. In the present work we provide evidence for a systematic difference in the experimentally observed "characteristic" size as obtained by static and dynamic measurements. Our observation thus points out the need for a more refined theory of non-equilibrium concentration fluctuations.

  20. Algorithm for structure constants

    CERN Document Server

    Paiva, F M

    2011-01-01

    In a $n$-dimensional Lie algebra, random numerical values are assigned by computer to $n(n-1)$ especially selected structure constants. An algorithm is then created, which calculates without ambiguity the remaining constants, obeying the Jacobi conditions. Differently from others, this algorithm is suitable even for poor personal computer. ------------- En $n$-dimensia algebro de Lie, hazardaj numeraj valoroj estas asignitaj per komputilo al $n(n-1)$ speciale elektitaj konstantoj de strukturo. Tiam algoritmo estas kreita, kalkulante senambigue la ceterajn konstantojn, obeante kondicxojn de Jacobi. Malsimile al aliaj algoritmoj, tiu cxi tauxgas ecx por malpotenca komputilo.

  1. Radiographic constant exposure technique

    DEFF Research Database (Denmark)

    Domanus, Joseph Czeslaw

    1985-01-01

    The constant exposure technique has been applied to assess various industrial radiographic systems. Different X-ray films and radiographic papers of two producers were compared. Special attention was given to fast film and paper used with fluorometallic screens. Radiographic image quality...... was tested by the use of ISO wire IQI's and ASTM penetrameters used on Al and Fe test plates. Relative speed and reduction of kilovoltage obtained with the constant exposure technique were calculated. The advantages of fast radiographic systems are pointed out...

  2. The aliquot constant

    CERN Document Server

    Bosma, Wieb

    2009-01-01

    The average value of log s(n)/n taken over the first N even integers is shown to converge to a constant lambda when N tends to infinity; moreover, the value of this constant is approximated and proven to be less than 0. Here s(n) sums the divisors of n less than n. Thus the geometric mean of s(n)/n, the growth factor of the function s, in the long run tends to be less than 1. This could be interpreted as probabilistic evidence that aliquot sequences tend to remain bounded.

  3. Synergistic Extraction of Some Univalent Cations into Nitrobenzene by Using Sodium Dicarbollylcobaltate and Dibenzo-21-crown-7.

    Science.gov (United States)

    Makrlík, Emanuel; Vaňura, Petr

    2012-06-01

    From extraction experiments and γ-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + 1•Na+ (nb) 1•M+ (nb) + Na+ (aq) taking place in the two-phase water-nitrobenzene system (M+ = Li+, H+, NH+4, Ag+, K+, Rb+, Tl+, Cs+; 1 = dibenzo-21-crown-7; aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the 1•M+ complexes in water - saturated nitrobenzene were calculated; they were found to increase in the series of H+ < Ag+ < Li+ < Cs+ < K+, Rb+ < NH+4 < Tl+.

  4. Thermal equilibrium of goats.

    Science.gov (United States)

    Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

    2016-05-01

    The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation.

  5. Treatment of Sebacic Acid Industrial Wastewater by Extraction Process Using Castor Oil Acid as Extractant*

    Institute of Scientific and Technical Information of China (English)

    徐航; 周全; 王金福

    2013-01-01

    Wastewater containing high concentrations of phenol and sodium sulfate is generated in sebacic acid (SA) industry. Castor oil acid, a raw material for producing SA, can be used to extract phenol from wastewater in order to reduce the amount of phenol used in the process and discharge of phenol. The results show that the extrac-tion mechanism is that hydroxyl group of phenol is linked to carboxyl group of castor oil acid by hydrogen bond. The extraction process approaches equilibrium in 30 min. Extraction ratio increases with the increase of sodium sulfate and castor oil acid, and decreases as phenol increases. When the oil-water ratio is 1︰3, the optimal distribu-tion coefficient of 40 is obtained. Phenol saturation concentration in castor oil acid is 1.03 mol·L−1 after extraction for 4 times. The equilibrium constant (Kex) at 25 °C is 8.41 and the endothermic enthalpy (ΔH) is 1.513 kJ·mol−1. The Gibbs free energy (ΔG) is−5.277 kJ·mol−1 and the value ofΔS is calculated to be 22.3 J·mol−1·K−1.

  6. Compassion is a constant.

    Science.gov (United States)

    Scott, Tricia

    2015-11-01

    Compassion is a powerful word that describes an intense feeling of commiseration and a desire to help those struck by misfortune. Most people know intuitively how and when to offer compassion to relieve another person's suffering. In health care, compassion is a constant; it cannot be rationed because emergency nurses have limited time or resources to manage increasing demands.

  7. Equilibrium and Sudden Events in Chemical Evolution

    Science.gov (United States)

    Weinberg, David H.; Andrews, Brett H.; Freudenburg, Jenna

    2017-03-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models that incorporate a realistic delay time distribution for Type Ia supernovae (SNe Ia) and can therefore track the separate evolution of α-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNe Ia. Our solutions allow constant, exponential, or linear–exponential ({{te}}-t/{τ {sfh}}) star formation histories, or combinations thereof. In generic cases, α and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter η, while the equilibrium abundance ratio [α /{Fe}] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Systems with ongoing gas accretion develop metallicity distribution functions (MDFs) that are sharply peaked, while “gas starved” systems with rapidly declining star formation, such as the conventional “closed box” model, have broadly peaked MDFs. A burst of star formation that consumes a significant fraction of a system’s available gas and retains its metals can temporarily boost [α /{Fe}] by 0.1–0.3 dex, a possible origin for rare, α-enhanced stars with intermediate age and/or high metallicity. Other sudden transitions in system properties can produce surprising behavior, including backward evolution of a stellar population from high to low metallicity.

  8. Mapping Isobaric Aging onto the Equilibrium Phase Diagram

    Science.gov (United States)

    Niss, Kristine

    2017-09-01

    The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case—challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

  9. Coupling constant in dispersive model

    Indian Academy of Sciences (India)

    R Saleh-Moghaddam; M E Zomorrodian

    2013-11-01

    The average of the moments for event shapes in + - → hadrons within the context of next-to-leading order (NLO) perturbative QCD prediction in dispersive model is studied. Moments used in this article are $\\langle 1 - T \\rangle, \\langle ρ \\rangle, \\langle B_{T} \\rangle$ and $\\langle B_{W} \\rangle$. We extract , the coupling constant in perturbative theory and α0 in the non-perturbative theory using the dispersive model. By fitting the experimental data, the values of $(M_{Z^{°}})$ = 0.1171 ± 0.00229 and 0 ($_{I} = 2{\\text{GeV}}$) = 0.5068 ± 0.0440 are found. Our results are consistent with the above model. Our results are also consistent with those obtained from other experiments at different energies. All these features are explained in this paper.

  10. Statistical physics ""Beyond equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Ecke, Robert E [Los Alamos National Laboratory

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  11. Variation of fundamental constants

    CERN Document Server

    Flambaum, V V

    2006-01-01

    We present a review of recent works devoted to the variation of the fine structure constant alpha, strong interaction and fundamental masses. There are some hints for the variation in quasar absorption spectra, Big Bang nucleosynthesis, and Oklo natural nuclear reactor data. A very promising method to search for the variation of the fundamental constants consists in comparison of different atomic clocks. Huge enhancement of the variation effects happens in transition between accidentally degenerate atomic and molecular energy levels. A new idea is to build a ``nuclear'' clock based on the ultraviolet transition between very low excited state and ground state in Thorium nucleus. This may allow to improve sensitivity to the variation up to 10 orders of magnitude! Huge enhancement of the variation effects is also possible in cold atomic and molecular collisions near Feschbach resonance.

  12. Constant-pressure Blowers

    Science.gov (United States)

    Sorensen, E

    1940-01-01

    The conventional axial blowers operate on the high-pressure principle. One drawback of this type of blower is the relatively low pressure head, which one attempts to overcome with axial blowers producing very high pressure at a given circumferential speed. The Schicht constant-pressure blower affords pressure ratios considerably higher than those of axial blowers of conventional design with approximately the same efficiency.

  13. String Scale Cosmological Constant

    OpenAIRE

    Chalmers, Gordon

    2006-01-01

    The cosmological constant is an unexplained until now phenomena of nature that requires an explanation through string effects. The apparent discrepancy between theory and experiment is enourmous and has already been explained several times by the author including mechanisms. In this work the string theory theory of abolished string modes is documented and given perturbatively to all loop orders. The holographic underpinning is also exposed. The matching with the data of the LIGO and D0 experi...

  14. Experimental and Simulating Study of Supercritical CO2 Extraction of Ginger Essential Oil%超临界二氧化碳萃取生姜油实验研究与数值模拟

    Institute of Scientific and Technical Information of China (English)

    刘学武; 李志义; 陈淑花; 詹世平; 夏远景; 魏勇

    2005-01-01

    An experimental setup for separating ginger essential oil by supercritical fluid extraction is established.The effects of the extraction pressure, temperature, CO2 flow rate and particle size of raw material on the extraction rate are investigated, and the optimum process conditions of supercritical CO2 extraction are determined. A mathematical simulation model is established based on the mass conservation in differential units of extraction bed.The total mass transfer driving force and the equilibrium absorption constant are evaluated by the linear driving force theory. The results from numerical simulation agree well with the experimental data.

  15. Extraction of Thulium(Ⅲ) Nitrate with N,N,N′,N′-Tetrabutylmalonamide%N,N,N′,N′-四丁基丙二酰胺萃取硝酸铥(Ⅲ)

    Institute of Scientific and Technical Information of China (English)

    徐荣琪; 张振伟; 崔玉; 张怀忠; 孙国新

    2004-01-01

    The behavior of N,N,N′,N′-tetrabutylmalonamide(TBMA) in extraction of Tm(Ⅲ) using toluene as diluent has been investigated. The effects of the concentrations of TBMA, nitric acid, lithium nitrate, and temperature on the extraction have been studied. The composition of the extracted species was found to be Tm(NO3)3·3TBMA as characterized by IR spectrometry. The apparent equilibrium constant of extraction has been determined to be (0.61±0.18) L6/mol-6 at 298 K. Enthalpy of the extraction reaction is -27.61 kJ/mol.

  16. The Hubble Constant.

    Science.gov (United States)

    Jackson, Neal

    2015-01-01

    I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H0 values of around 72-74 km s(-1) Mpc(-1), with typical errors of 2-3 km s(-1) Mpc(-1). This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67-68 km s(-1) Mpc(-1) and typical errors of 1-2 km s(-1) Mpc(-1). The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  17. Universe of constant

    Science.gov (United States)

    Yongquan, Han

    2016-10-01

    The ideal gas state equation is not applicable to ordinary gas, it should be applied to the Electromagnetic ``gas'' that is applied to the radiation, the radiation should be the ultimate state of matter changes or initial state, the universe is filled with radiation. That is, the ideal gas equation of state is suitable for the Singular point and the universe. Maybe someone consider that, there is no vessel can accommodate radiation, it is because the Ordinary container is too small to accommodate, if the radius of your container is the distance that Light through an hour, would you still think it can't accommodates radiation? Modern scientific determinate that the radius of the universe now is about 1027 m, assuming that the universe is a sphere whose volume is approximately: V = 4.19 × 1081 cubic meters, the temperature radiation of the universe (cosmic microwave background radiation temperature of the universe, should be the closest the average temperature of the universe) T = 3.15k, radiation pressure P = 5 × 10-6 N / m 2, according to the law of ideal gas state equation, PV / T = constant = 6 × 1075, the value of this constant is the universe, The singular point should also equal to the constant Author: hanyongquan

  18. Lattice Boltzmann model with nearly constant density.

    Science.gov (United States)

    Fang, Hai-ping; Wan, Rong-zheng; Lin, Zhi-fang

    2002-09-01

    An improved lattice Boltzmann model is developed to simulate fluid flow with nearly constant fluid density. The ingredient is to incorporate an extra relaxation for fluid density, which is realized by introducing a feedback equation in the equilibrium distribution functions. The pressure is dominated by the moving particles at a node, while the fluid density is kept nearly constant and explicit mass conservation is retained as well. Numerical simulation based on the present model for the (steady) plane Poiseuille flow and the (unsteady) two-dimensional Womersley flow shows a great improvement in simulation results over the previous models. In particular, the density fluctuation has been reduced effectively while achieving a relatively large pressure gradient.

  19. General equilibrium without utility functions

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    2010-01-01

    How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known not to re......How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known...... and the diffeomorphism of the equilibrium manifold with a Euclidean space; (2) the diffeomorphism of the set of no-trade equilibria with a Euclidean space; (3) the openness and genericity of the set of regular equilibria as a subset of the equilibrium manifold; (4) for small trade vectors, the uniqueness, regularity...

  20. Equilibrium models and variational inequalities

    CERN Document Server

    Konnov, Igor

    2007-01-01

    The concept of equilibrium plays a central role in various applied sciences, such as physics (especially, mechanics), economics, engineering, transportation, sociology, chemistry, biology and other fields. If one can formulate the equilibrium problem in the form of a mathematical model, solutions of the corresponding problem can be used for forecasting the future behavior of very complex systems and, also, for correcting the the current state of the system under control. This book presents a unifying look on different equilibrium concepts in economics, including several models from related sciences.- Presents a unifying look on different equilibrium concepts and also the present state of investigations in this field- Describes static and dynamic input-output models, Walras, Cassel-Wald, spatial price, auction market, oligopolistic equilibrium models, transportation and migration equilibrium models- Covers the basics of theory and solution methods both for the complementarity and variational inequality probl...

  1. Simulating rare events in equilibrium or nonequilibrium stochastic systems

    NARCIS (Netherlands)

    Allen, R.J.; Frenkel, D.; Wolde, P.R. ten

    2006-01-01

    We present three algorithms for calculating rate constants and sampling transition paths for rare events in simulations with stochastic dynamics. The methods do not require a priori knowledge of the phase-space density and are suitable for equilibrium or nonequilibrium systems in stationary state. A

  2. Semiexperimental equilibrium structure of the lower energy conformer of glycidol by the mixed estimation method.

    Science.gov (United States)

    Demaison, Jean; Craig, Norman C; Conrad, Andrew R; Tubergen, Michael J; Rudolph, Heinz Dieter

    2012-09-13

    Rotational constants were determined for (18)O-substituted isotopologues of the lower energy conformer of glycidol, which has an intramolecular inner hydrogen bond from the hydroxyl group to the oxirane ring oxygen. Rotational constants were previously determined for the (13)C and the OD species. These rotational constants have been corrected with the rovibrational constants calculated from an ab initio cubic force field. The derived semiexperimental equilibrium rotational constants have been supplemented by carefully chosen structural parameters, including those for hydrogen atoms, from medium level ab initio calculations. The combined data have been used in a weighted least-squares fit to determine an equilibrium structure for the glycidol H-bond inner conformer. This work shows that the mixed estimation method allows us to determine a complete and reliable equilibrium structure for large molecules, even when the rotational constants of a number of isotopologues are unavailable.

  3. Experimental determination of the effective strong coupling constant

    Energy Technology Data Exchange (ETDEWEB)

    Alexandre Deur; Volker Burkert; Jian-Ping Chen; Wolfgang Korsch

    2007-07-01

    We extract an effective strong coupling constant from low Q{sup 2} data on the Bjorken sum. Using sum rules, we establish its Q{sup 2}-behavior over the complete Q{sup 2}-range. The result is compared to effective coupling constants extracted from different processes and to calculations based on Schwinger-Dyson equations, hadron spectroscopy or lattice QCD. Although the connection between the experimentally extracted effective coupling constant and the calculations is not clear, the results agree surprisingly well.

  4. Neutral Complex Extraction and Synergistic Extraction of Macrolide Antibiotics

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the theory of reactive extraction, new solvent systems were developed to replace butylacetate for extraction of macrolide antibiotics (erythromycin, kitasamycin, spiramycin meleumycin etc.). A new neutral complex solvent extraction system, fatty alcohol-kerosene (marked by E1), was used for extraction of erythromycin, one of the macrolide antibiotics. The extraction equilibrium equation is obtained, and the extraction distribution is as follows The effects of several parameters on extraction equilibrium were investigated. Furthermore, a new synergistic extraction system (marked by E2) was developed, in which another solvent was used as synergistic agent to replace the diluent kerosene in the neutral complex extraction system. Based on these new extraction systems, an improved process for extraction of erythromycin was developed, showing remarkable advantages in technology and economics owing to its low solvent consumption of 3kg per billion unit compared with 9-10 for butylacetate. The recovery process of solvent from raffinate may be eliminated.

  5. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Neal Jackson

    2015-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. There are two broad categories of measurements. The first uses individual astrophysical objects which have some property that allows their intrinsic luminosity or size to be determined, or allows the determination of their distance by geometric means. The second category comprises the use of all-sky cosmic microwave background, or correlations between large samples of galaxies, to determine information about the geometry of the Universe and hence the Hubble constant, typically in a combination with other cosmological parameters. Many, but not all, object-based measurements give H_0 values of around 72–74 km s^–1 Mpc^–1, with typical errors of 2–3 km s^–1 Mpc^–1. This is in mild discrepancy with CMB-based measurements, in particular those from the Planck satellite, which give values of 67–68 km s^–1 Mpc^–1 and typical errors of 1–2 km s^–1 Mpc^–1. The size of the remaining systematics indicate that accuracy rather than precision is the remaining problem in a good determination of the Hubble constant. Whether a discrepancy exists, and whether new physics is needed to resolve it, depends on details of the systematics of the object-based methods, and also on the assumptions about other cosmological parameters and which datasets are combined in the case of the all-sky methods.

  6. Spaces of constant curvature

    CERN Document Server

    Wolf, Joseph A

    2010-01-01

    This book is the sixth edition of the classic Spaces of Constant Curvature, first published in 1967, with the previous (fifth) edition published in 1984. It illustrates the high degree of interplay between group theory and geometry. The reader will benefit from the very concise treatments of riemannian and pseudo-riemannian manifolds and their curvatures, of the representation theory of finite groups, and of indications of recent progress in discrete subgroups of Lie groups. Part I is a brief introduction to differentiable manifolds, covering spaces, and riemannian and pseudo-riemannian geomet

  7. Napoleon Is in Equilibrium

    Science.gov (United States)

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  8. Limitations of constant-force-feedback experiments.

    Science.gov (United States)

    Elms, Phillip J; Chodera, John D; Bustamante, Carlos J; Marqusee, Susan

    2012-10-03

    Single-molecule force spectroscopy has provided important insights into the properties and mechanisms of biological molecules and systems. A common experiment is to measure the force dependence of conformational changes at equilibrium. Here, we demonstrate that the commonly used technique of force feedback has severe limitations when used to evaluate rapid macromolecular conformational transitions. By comparing the force-dependent dynamics of three major classes of macromolecules (DNA, RNA, and protein) using both a constant-force-feedback and a constant-trap-position technique, we demonstrate a problem in force-feedback experiments. The finite response time of the instrument's force feedback can modify the behavior of the molecule, leading to errors in the reported parameters, such as the rate constants and the distance to the transition state, for the conformational transitions. We elucidate the causes of this problem and provide a simple test to identify and evaluate the magnitude of the effect. We recommend avoiding the use of constant force feedback as a method to study rapid conformational changes in macromolecules.

  9. Local thermodynamic equilibrium for globally disequilibrium open systems under stress

    Science.gov (United States)

    Podladchikov, Yury

    2016-04-01

    Predictive modeling of far and near equilibrium processes is essential for understanding of patterns formation and for quantifying of natural processes that are never in global equilibrium. Methods of both equilibrium and non-equilibrium thermodynamics are needed and have to be combined. For example, predicting temperature evolution due to heat conduction requires simultaneous use of equilibrium relationship between internal energy and temperature via heat capacity (the caloric equation of state) and disequilibrium relationship between heat flux and temperature gradient. Similarly, modeling of rocks deforming under stress, reactions in system open for the porous fluid flow, or kinetic overstepping of the equilibrium reaction boundary necessarily needs both equilibrium and disequilibrium material properties measured under fundamentally different laboratory conditions. Classical irreversible thermodynamics (CIT) is the well-developed discipline providing the working recipes for the combined application of mutually exclusive experimental data such as density and chemical potential at rest under constant pressure and temperature and viscosity of the flow under stress. Several examples will be presented.

  10. Stability constants for silicate adsorbed to ferrihydrite

    DEFF Research Database (Denmark)

    Hansen, Hans Christian Bruun; Wetche, T.P.; Raulund-Rasmussen, Karsten

    1994-01-01

    experiments in 0.01 m NaNO3 electrolyte (pH 3-6). The surface equilibrium constants were calculated according to the two-layer model by Dzombak & Morel (1990). Near equilibrium between protons/hydroxyls in solution and the ferrihydrite surface was obtained within minutes while equilibration with silicate...... required days-weeks, both reactions probably being diffusion controlled. Applying the values for specific surface area and site densities for ferrihydrite used by Dzombak & Morel (1990) (600 m2 g-1, 3.4 mumole m-2) the constants pK(al)intr 6.93 +/- 0.12, pK(a2)intr = 8.72 +/- 0.17 and log K(Si) = 3.62 were...... calculated by using the FITEQL optimization routine. Use of the specific surface area actually measured (269 m2 g-1) gave a poorer fit of the experimental data. Due to the slow adsorption of silicate and hence long shaking times, changes in the surface characteristics of the ferrihydrite seem to take place...

  11. Tuning non-equilibrium superconductors with lasers

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael A.; Kollath, Corinna [HISKP, University of Bonn, Nussallee 14-16, D-53115 Bonn (Germany); Kemper, Alexander F. [LBL Berkeley (United States); Georges, Antoine [Ecole Polytechnique and College de France, Paris (France)

    2015-07-01

    The study of the real-time dynamics dynamics of solids perturbed by short laser pulses is an intriguing opportunity of ultrafast materials science. Previous theoretical work on pump-probe photoemission spectroscopy revealed spectroscopic signatures of electron-boson coupling, which are reminiscent of features observed in recent pump-probe photoemission experiments on cuprate superconductors. Here we investigate the ordered state of electron-boson mediated superconductors subject to laser driving using Migdal-Eliashberg theory on the Kadanoff-Baym-Keldysh contour. We extract the characteristic time scales on which the non-equilibrium superconductor reacts to the perturbation, and their relation to the coupling boson and the underlying order.

  12. Fundamental functions in equilibrium thermodynamics

    NARCIS (Netherlands)

    Horst, H.J. ter

    1987-01-01

    In the standard presentations of the principles of Gibbsian equilibrium thermodynamics one can find several gaps in the logic. For a subject that is as widely used as equilibrium thermodynamics, it is of interest to clear up such questions of mathematical rigor. In this paper it is shown that using

  13. Extraction and Stripping of Ytterbium (Ⅲ) from H2SO4 Medium by Cyanex 923

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The extraction and stripping of ytterbium(Ⅲ) from sulfuric acid medium using Cyanex 923 in heptane solution was investigated. The effects of extractant concentration, pH and sulfate ion as well as stripping agents, acidity and temperature on the extraction and stripping were studied. The equilibrium constants and thermodynamic parameters, such as ΔH (10.76 kJ·mol-1), ΔG (-79.26 kJ·mol-1) and ΔS (292.41 J·K-1·mol-1), were calculated. The extraction mechanism and the complex species extracted were determined by slope analysis and FTIR spectra. Furthermore, it was found that the extraction of Yb (Ⅲ) from sulfuric acid medium by Cyanex 923 increased with pH, concentration of SO42-, HSO4-, and extractant concentration, and approximately a quantitative extraction of Yb(Ⅲ) was achieved at an equilibrium pH near 3.0, and the extracted complex was YbSO4(HSO4)·2Cyanex923(o).

  14. Non-equilibrium phase transitions

    CERN Document Server

    Henkel, Malte; Lübeck, Sven

    2009-01-01

    This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

  15. A Multiperiod Equilibrium Pricing Model

    Directory of Open Access Journals (Sweden)

    Minsuk Kwak

    2014-01-01

    Full Text Available We propose an equilibrium pricing model in a dynamic multiperiod stochastic framework with uncertain income. There are one tradable risky asset (stock/commodity, one nontradable underlying (temperature, and also a contingent claim (weather derivative written on the tradable risky asset and the nontradable underlying in the market. The price of the contingent claim is priced in equilibrium by optimal strategies of representative agent and market clearing condition. The risk preferences are of exponential type with a stochastic coefficient of risk aversion. Both subgame perfect strategy and naive strategy are considered and the corresponding equilibrium prices are derived. From the numerical result we examine how the equilibrium prices vary in response to changes in model parameters and highlight the importance of our equilibrium pricing principle.

  16. Equilibrium with arbitrary market structure

    DEFF Research Database (Denmark)

    Grodal, Birgit; Vind, Karl

    2005-01-01

    Fifty years ago Arrow [1] introduced contingent commodities and Debreu [4] observed that this reinterpretation of a commodity was enough to apply the existing general equilibrium theory to uncertainty and time. This interpretation of general equilibrium theory is the Arrow-Debreu model. The compl......Fifty years ago Arrow [1] introduced contingent commodities and Debreu [4] observed that this reinterpretation of a commodity was enough to apply the existing general equilibrium theory to uncertainty and time. This interpretation of general equilibrium theory is the Arrow-Debreu model....... The complete market predicted by this theory is clearly unrealistic, and Radner [10] formulated and proved existence of equilibrium in a multiperiod model with incomplete markets. In this paper the Radner result is extended. Radner assumed a specific structure of markets, independence of preferences...

  17. Solvent extraction of Li+, H3O+ and NH4+ into nitrobenzene by using sodium dicarbollylcobaltate and calix[4]arene-bis(t-octylbenzo-18-crown-6)

    Energy Technology Data Exchange (ETDEWEB)

    Makrlik, Emanuel [Czech University of Life Sciences, Prague, Kamy´cká; Selucky, P. [Nuclear Research Institute, Rez, Czech Republic; Vanura, Petr [Institute of Chemical Technology, Prague, Czech Republic; Moyer, Bruce A [ORNL

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + NaL+ (nb) , ML+ (nb) + Na+ (aq) taking place in the two-phase water nitrobenzene system (M+ = Li+, H3O+, NH+4; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: zH3O+ < Li+ < NH+4.

  18. The Hubble Constant

    Directory of Open Access Journals (Sweden)

    Jackson Neal

    2007-09-01

    Full Text Available I review the current state of determinations of the Hubble constant, which gives the length scale of the Universe by relating the expansion velocity of objects to their distance. In the last 20 years, much progress has been made and estimates now range between 60 and 75 km s^-1 Mpc^-1, with most now between 70 and 75 km s^-1 Mpc^-1, a huge improvement over the factor-of-2 uncertainty which used to prevail. Further improvements which gave a generally agreed margin of error of a few percent rather than the current 10% would be vital input to much other interesting cosmology. There are several programmes which are likely to lead us to this point in the next 10 years.

  19. When constants are important

    Energy Technology Data Exchange (ETDEWEB)

    Beiu, V.

    1997-04-01

    In this paper the authors discuss several complexity aspects pertaining to neural networks, commonly known as the curse of dimensionality. The focus will be on: (1) size complexity and depth-size tradeoffs; (2) complexity of learning; and (3) precision and limited interconnectivity. Results have been obtained for each of these problems when dealt with separately, but few things are known as to the links among them. They start by presenting known results and try to establish connections between them. These show that they are facing very difficult problems--exponential growth in either space (i.e. precision and size) and/or time (i.e., learning and depth)--when resorting to neural networks for solving general problems. The paper will present a solution for lowering some constants, by playing on the depth-size tradeoff.

  20. Constant Proportion Portfolio Insurance

    DEFF Research Database (Denmark)

    Jessen, Cathrine

    2014-01-01

    Portfolio insurance, as practiced in 1987, consisted of trading between an underlying stock portfolio and cash, using option theory to place a floor on the value of the position, as if it included a protective put. Constant Proportion Portfolio Insurance (CPPI) is an option-free variation...... on the theme, originally proposed by Fischer Black. In CPPI, a financial institution guarantees a floor value for the “insured” portfolio and adjusts the stock/bond mix to produce a leveraged exposure to the risky assets, which depends on how far the portfolio value is above the floor. Plain-vanilla portfolio...... insurance largely died with the crash of 1987, but CPPI is still going strong. In the frictionless markets of finance theory, the issuer’s strategy to hedge its liability under the contract is clear, but in the real world with transactions costs and stochastic jump risk, the optimal strategy is less obvious...

  1. Decay constants in geochronology

    Institute of Scientific and Technical Information of China (English)

    IgorM.Villa; PaulR.Renne

    2005-01-01

    Geologic time is fundamental to the Earth Sciences, and progress in many disciplines depends critically on our ability to measure time with increasing accuracy and precision. Isotopic geochronology makes use of the decay of radioactive nuclides as a help to quantify the histories of rock, minerals, and other materials. Both accuracy and precision of radioisotopic ages are, at present, limited by those of radioactive decay constants. Modem mass spectrometers can measure isotope ratios with a precision of 10-4 or better. On the other hand, the uncertainties associated with direct half-life determinations are, in most cases, still at the percent level. The present short note briefly summarizes progress and problems that have been encountered during the Working Group's activity.

  2. Non-equilibrium properties of hadronic mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Prakasch, Madappa (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Prakasch, Manju (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Venugopalan, R. (State Univ. of New York, Stony Brook, NY (United States). Physics Dept.); Welke, G. (Michigan State Univ., East Lansing, MI (United States). National Superconducting Cyclotron Lab.)

    1993-05-01

    The equilibration of hot hadronic matter is studied in the framework of relativistic kinetic theory. Various non-equilibrium properties of a mixture comprised of pions, kaons and nucleons are calculated in the dilute limit for small deviations from local thermal equilibrium. Interactions between these constituents are specified through the empirical phase shifts. The properties calculated include the relaxation/collision times, momentum and energy persistence ratios in elastic collisions, and transport properties such as the viscosity, the thermal conductivity, and the diffusion and thermal diffusion coefficients. The Chapman-Enskog formalism is extended to extract relaxation times associated with shear and heat flows, and drag and diffusion flows in a mixture. The equilibrium number concentration of the constituents is chosen to mimic those expected in the mid-rapidity interval of CERN and RHIC experiments. In this case, kaons and nucleons are found to equilibrate significantly more slowly than pions. These results shed new light on the influence of collective flow effects on the transverse momentum distributions of kaons and nucleons versus those of pions in ultra-relativistic nuclear collisions. (orig.)

  3. Steric effects of polymethylene chain of 4-acylbis(pyrazolones) on the solvent extraction of trivalent lanthanoids: synergistic effect with mono and bifunctional neutral organophosphorus extractants

    Energy Technology Data Exchange (ETDEWEB)

    Pavithran, Rani [Ion-specific Separation Science and Technology Group, Regional Research Laboratory (CSIR), Thiruvananthapuram 695 019 (India); Reddy, M.L.P. [Ion-specific Separation Science and Technology Group, Regional Research Laboratory (CSIR), Thiruvananthapuram 695 019 (India)]. E-mail: mlpreddy@yahoo.co.uk

    2005-04-22

    Various 4-acylbis(pyrazolones), namely 4-adipoylbis(1-phenyl-3-methyl-5-pyrazolone) (H{sub 2}AdBP = 1), 4-suberoylbis(1-phenyl-3-methyl-5-pyrazolone) (H{sub 2}SuBP = 2), 4-sebacoylbis(1-phenyl-3-methyl-5-pyrazolone) (H{sub 2}SbBP = 3), 4-dodecandioylbis(1-phenyl-3-methyl-5-pyrazolone) (H{sub 2}DdBP = 4) have been synthesized and examined their solvent extraction behavior towards trivalent lanthanoids (Nd{sup 3+}, Eu{sup 3+} and Tm{sup 3+}). The extraction of Ln{sup 3+} ions was found to increase monotonically with increasing atomic number of these metal ions. 1-4 reagents showed an initial increase in the extraction efficiency of Ln{sup 3+} ion with increasing polymethylene chain length, -(CH{sub 2}){sub n}-, from n = 4 to 8 and thereafter a decreasing trend, for n = 10. The equilibrium constants (K{sub ex}) of the extracted complexes have been deduced by nonlinear regression analysis with the aid of suitable chemically based model developed by taking into account chemical mass action principles. The K{sub ex} values were correlated with the polymethylene chain length, by measuring the distance between the carbonyl oxygen atoms connected to the polymethylene chain with the help of semi-empirical PM3 molecular modelling calculations. The synergistic effect on the addition of various neutral organophosphorus extractants to the metal-chelate system has also been investigated. Not only enhanced extraction efficiency, but also improved selectivity has been observed among these Ln{sup 3+} ions. The equilibrium constants of the synergistically extracted complexes have been correlated with the donor ability of the phosphoryl oxygen of the neutral organophosphorus extractants in terms of their {sup 31}P NMR chemical shifts and their basicity values (K{sub H} = nitric acid uptake constant)

  4. Constraints on parton distribution functions and extraction of the strong coupling constant from the inclusive jet cross section in pp collisions at $\\sqrt{s}$ = 7 TeV

    CERN Document Server

    Khachatryan, Vardan; Tumasyan, Armen; Adam, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hartl, Christian; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Knünz, Valentin; Krammer, Manfred; Krätschmer, Ilse; Liko, Dietrich; Mikulec, Ivan; Rabady, Dinyar; Rahbaran, Babak; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Treberer-Treberspurg, Wolfgang; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Alderweireldt, Sara; Bansal, Monika; Bansal, Sunil; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Knutsson, Albert; Luyckx, Sten; Ochesanu, Silvia; Rougny, Romain; Van De Klundert, Merijn; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Daci, Nadir; Heracleous, Natalie; Keaveney, James; Lowette, Steven; Maes, Michael; Olbrechts, Annik; Python, Quentin; Strom, Derek; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Caillol, Cécile; Clerbaux, Barbara; De Lentdecker, Gilles; Dobur, Didar; Favart, Laurent; Gay, Arnaud; Grebenyuk, Anastasia; Léonard, Alexandre; Mohammadi, Abdollah; Perniè, Luca; Reis, Thomas; Seva, Tomislav; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Wang, Jian; Zenoni, Florian; Adler, Volker; Beernaert, Kelly; Benucci, Leonardo; Cimmino, Anna; Costantini, Silvia; Crucy, Shannon; Dildick, Sven; Fagot, Alexis; Garcia, Guillaume; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Ryckbosch, Dirk; Salva Diblen, Sinem; Sigamani, Michael; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Beluffi, Camille; Bruno, Giacomo; Castello, Roberto; Caudron, Adrien; Ceard, Ludivine; Da Silveira, Gustavo Gil; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Jafari, Abideh; Jez, Pavel; Komm, Matthias; Lemaitre, Vincent; Nuttens, Claude; Pagano, Davide; Perrini, Lucia; Pin, Arnaud; Piotrzkowski, Krzysztof; Popov, Andrey; Quertenmont, Loic; Selvaggi, Michele; Vidal Marono, Miguel; Vizan Garcia, Jesus Manuel; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Aldá Júnior, Walter Luiz; Alves, Gilvan; Brito, Lucas; Correa Martins Junior, Marcos; Dos Reis Martins, Thiago; Mora Herrera, Clemencia; Pol, Maria Elena; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Malbouisson, Helena; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santaolalla, Javier; Santoro, Alberto; Sznajder, Andre; Tonelli Manganote, Edmilson José; Vilela Pereira, Antonio; Bernardes, Cesar Augusto; Dogra, Sunil; Tomei, Thiago; De Moraes Gregores, Eduardo; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Aleksandrov, Aleksandar; Genchev, Vladimir; Iaydjiev, Plamen; Marinov, Andrey; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Vutova, Mariana; Dimitrov, Anton; Glushkov, Ivan; Hadjiiska, Roumyana; Kozhuharov, Venelin; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Chen, Mingshui; Du, Ran; Jiang, Chun-Hua; Plestina, Roko; Romeo, Francesco; Tao, Junquan; Wang, Zheng; Asawatangtrakuldee, Chayanit; Ban, Yong; Li, Qiang; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Wang, Dayong; Zou, Wei; Avila, Carlos; Chaparro Sierra, Luisa Fernanda; Florez, Carlos; Gomez, Juan Pablo; Gomez Moreno, Bernardo; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Kadija, Kreso; Luetic, Jelena; Mekterovic, Darko; Sudic, Lucija; Attikis, Alexandros; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Bodlak, Martin; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Ellithi Kamel, Ali; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Murumaa, Marion; Raidal, Martti; Tiko, Andres; Eerola, Paula; Fedi, Giacomo; Voutilainen, Mikko; Härkönen, Jaakko; Karimäki, Veikko; Kinnunen, Ritva; Kortelainen, Matti J; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Wendland, Lauri; Talvitie, Joonas; Tuuva, Tuure; Besancon, Marc; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Favaro, Carlotta; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Rander, John; Rosowsky, André; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Busson, Philippe; Charlot, Claude; Dahms, Torsten; Dalchenko, Mykhailo; Dobrzynski, Ludwik; Filipovic, Nicolas; Florent, Alice; Granier de Cassagnac, Raphael; Mastrolorenzo, Luca; Miné, Philippe; Mironov, Camelia; Naranjo, Ivo Nicolas; Nguyen, Matthew; Ochando, Christophe; Paganini, Pascal; Regnard, Simon; Salerno, Roberto; Sauvan, Jean-Baptiste; Sirois, Yves; Veelken, Christian; Yilmaz, Yetkin; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Aubin, Alexandre; Bloch, Daniel; Brom, Jean-Marie; Chabert, Eric Christian; Collard, Caroline; Conte, Eric; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Goetzmann, Christophe; Le Bihan, Anne-Catherine; Van Hove, Pierre; Gadrat, Sébastien; Beauceron, Stephanie; Beaupere, Nicolas; Boudoul, Gaelle; Bouvier, Elvire; Brochet, Sébastien; Carrillo Montoya, Camilo Andres; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Depasse, Pierre; El Mamouni, Houmani; Fan, Jiawei; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Perries, Stephane; Ruiz Alvarez, José David; Sabes, David; Sgandurra, Louis; Sordini, Viola; Vander Donckt, Muriel; Verdier, Patrice; Viret, Sébastien; Xiao, Hong; Tsamalaidze, Zviad; Autermann, Christian; Beranek, Sarah; Bontenackels, Michael; Edelhoff, Matthias; Feld, Lutz; Hindrichs, Otto; Klein, Katja; Ostapchuk, Andrey; Perieanu, Adrian; Raupach, Frank; Sammet, Jan; Schael, Stefan; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Brodski, Michael; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Fischer, Robert; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klingebiel, Dennis; Knutzen, Simon; Kreuzer, Peter; Merschmeyer, Markus; Meyer, Arnd; Millet, Philipp; Olschewski, Mark; Padeken, Klaas; Papacz, Paul; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Teyssier, Daniel; Thüer, Sebastian; Weber, Martin; Cherepanov, Vladimir; Erdogan, Yusuf; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Heister, Arno; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Künsken, Andreas; Lingemann, Joschka; Nowack, Andreas; Nugent, Ian Michael; Perchalla, Lars; Pooth, Oliver; Stahl, Achim; Asin, Ivan; Bartosik, Nazar; Behr, Joerg; Behrenhoff, Wolf; Behrens, Ulf; Bell, Alan James; Bergholz, Matthias; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Choudhury, Somnath; Costanza, Francesco; Diez Pardos, Carmen; Dooling, Samantha; Dorland, Tyler; Eckerlin, Guenter; Eckstein, Doris; Eichhorn, Thomas; Flucke, Gero; Garay Garcia, Jasone; Geiser, Achim; Gunnellini, Paolo; Hauk, Johannes; Hempel, Maria; Horton, Dean; Jung, Hannes; Kalogeropoulos, Alexis; Kasemann, Matthias; Katsas, Panagiotis; Kieseler, Jan; Kleinwort, Claus; Krücker, Dirk; Lange, Wolfgang; Leonard, Jessica; Lipka, Katerina; Lobanov, Artur; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mittag, Gregor; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Nayak, Aruna; Novgorodova, Olga; Ntomari, Eleni; Perrey, Hanno; Pitzl, Daniel; Placakyte, Ringaile; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Roland, Benoit; Ron, Elias; Sahin, Mehmet Özgür; Salfeld-Nebgen, Jakob; Saxena, Pooja; Schmidt, Ringo; Schoerner-Sadenius, Thomas; Schröder, Matthias; Seitz, Claudia; Spannagel, Simon; Vargas Trevino, Andrea Del Rocio; Walsh, Roberval; Wissing, Christoph; Aldaya Martin, Maria; Blobel, Volker; Centis Vignali, Matteo; Draeger, Arne-Rasmus; Erfle, Joachim; Garutti, Erika; Goebel, Kristin; Görner, Martin; Haller, Johannes; Hoffmann, Malte; Höing, Rebekka Sophie; Kirschenmann, Henning; Klanner, Robert; Kogler, Roman; Lange, Jörn; Lapsien, Tobias; Lenz, Teresa; Marchesini, Ivan; Ott, Jochen; Peiffer, Thomas; Pietsch, Niklas; Poehlsen, Jennifer; Pöhlsen, Thomas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Seidel, Markus; Sola, Valentina; Stadie, Hartmut; Steinbrück, Georg; Troendle, Daniel; Usai, Emanuele; Vanelderen, Lukas; Vanhoefer, Annika; Barth, Christian; Baus, Colin; Berger, Joram; Böser, Christian; Butz, Erik; Chwalek, Thorsten; De Boer, Wim; Descroix, Alexis; Dierlamm, Alexander; Feindt, Michael; Frensch, Felix; Giffels, Manuel; Hartmann, Frank; Hauth, Thomas; Husemann, Ulrich; Katkov, Igor; Kornmayer, Andreas; Kuznetsova, Ekaterina; Lobelle Pardo, Patricia; Mozer, Matthias Ulrich; Müller, Thomas; Nürnberg, Andreas; Quast, Gunter; Rabbertz, Klaus; Ratnikov, Fedor; Röcker, Steffen; Sieber, Georg; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Wayand, Stefan; Weiler, Thomas; Wolf, Roger; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Giakoumopoulou, Viktoria Athina; Kyriakis, Aristotelis; Loukas, Demetrios; Markou, Athanasios; Markou, Christos; Psallidas, Andreas; Topsis-Giotis, Iasonas; Agapitos, Antonis; Kesisoglou, Stilianos; Panagiotou, Apostolos; Saoulidou, Niki; Stiliaris, Efstathios; Aslanoglou, Xenofon; Evangelou, Ioannis; Flouris, Giannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Paradas, Evangelos; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Karancsi, János; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Makovec, Alajos; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Swain, Sanjay Kumar; Beri, Suman Bala; Bhatnagar, Vipin; Gupta, Ruchi; Bhawandeep, Bhawandeep; Kalsi, Amandeep Kaur; Kaur, Manjit; Kumar, Ramandeep; Mittal, Monika; Nishu, Nishu; Singh, Jasbir; Kumar, Ashok; Kumar, Arun; Ahuja, Sudha; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Kumar, Ajay; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Varun; Banerjee, Sunanda; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Modak, Atanu; Mukherjee, Swagata; Roy, Debarati; Sarkar, Subir; Sharan, Manoj; Abdulsalam, Abdulla; Dutta, Dipanwita; Kailas, Swaminathan; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Topkar, Anita; Aziz, Tariq; Banerjee, Sudeshna; Bhowmik, Sandeep; Chatterjee, Rajdeep Mohan; Dewanjee, Ram Krishna; Dugad, Shashikant; Ganguly, Sanmay; Ghosh, Saranya; Guchait, Monoranjan; Gurtu, Atul; Kole, Gouranga; Kumar, Sanjeev; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Bakhshiansohi, Hamed; Behnamian, Hadi; Etesami, Seyed Mohsen; Fahim, Ali; Goldouzian, Reza; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Naseri, Mohsen; Paktinat Mehdiabadi, Saeid; Rezaei Hosseinabadi, Ferdos; Safarzadeh, Batool; Zeinali, Maryam; Felcini, Marta; Grunewald, Martin; Abbrescia, Marcello; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; My, Salvatore; Nuzzo, Salvatore; Pompili, Alexis; Pugliese, Gabriella; Radogna, Raffaella; Selvaggi, Giovanna; Sharma, Archana; Silvestris, Lucia; Venditti, Rosamaria; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Campanini, Renato; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Codispoti, Giuseppe; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Montanari, Alessandro; Navarria, Francesco; Perrotta, Andrea; Primavera, Federica; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Giordano, Ferdinando; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Gallo, Elisabetta; Gonzi, Sandro; Gori, Valentina; Lenzi, Piergiulio; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Fabbri, Franco; Piccolo, Davide; Ferretti, Roberta; Ferro, Fabrizio; Lo Vetere, Maurizio; Robutti, Enrico; Tosi, Silvano; Dinardo, Mauro Emanuele; Fiorendi, Sara; Gennai, Simone; Gerosa, Raffaele; Ghezzi, Alessio; Govoni, Pietro; Lucchini, Marco Toliman; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Marzocchi, Badder; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; Di Guida, Salvatore; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Biasotto, Massimo; Bisello, Dario; Branca, Antonio; Carlin, Roberto; Checchia, Paolo; Dall'Osso, Martino; Dorigo, Tommaso; Dosselli, Umberto; Galanti, Mario; Gasparini, Fabrizio; Gasparini, Ugo; Giubilato, Piero; Gonella, Franco; Gozzelino, Andrea; Kanishchev, Konstantin; Lacaprara, Stefano; Margoni, Martino; Montecassiano, Fabio; Pazzini, Jacopo; Pozzobon, Nicola; Ronchese, Paolo; Tosi, Mia; Vanini, Sara; Ventura, Sandro; Zucchetta, Alberto; Gabusi, Michele; Ratti, Sergio P; Re, Valerio; Riccardi, Cristina; Salvini, Paola; Vitulo, Paolo; Biasini, Maurizio; Bilei, Gian Mario; Ciangottini, Diego; Fanò, Livio; Lariccia, Paolo; Mantovani, Giancarlo; Menichelli, Mauro; Saha, Anirban; Santocchia, Attilio; Spiezia, Aniello; Androsov, Konstantin; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; Ciocci, Maria Agnese; Dell'Orso, Roberto; Donato, Silvio; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Grippo, Maria Teresa; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Moon, Chang-Seong; Palla, Fabrizio; Rizzi, Andrea; Savoy-Navarro, Aurore; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Vernieri, Caterina; Barone, Luciano; Cavallari, Francesca; D'imperio, Giulia; Del Re, Daniele; Diemoz, Marcella; Jorda, Clara; Longo, Egidio; Margaroli, Fabrizio; Meridiani, Paolo; Micheli, Francesco; Nourbakhsh, Shervin; Organtini, Giovanni; Paramatti, Riccardo; Rahatlou, Shahram; Rovelli, Chiara; Santanastasio, Francesco; Soffi, Livia; Traczyk, Piotr; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Bellan, Riccardo; Biino, Cristina; Cartiglia, Nicolo; Casasso, Stefano; Costa, Marco; Degano, Alessandro; Demaria, Natale; Finco, Linda; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Ortona, Giacomo; Pacher, Luca; Pastrone, Nadia; Pelliccioni, Mario; Pinna Angioni, Gian Luca; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Solano, Ada; Staiano, Amedeo; Tamponi, Umberto; Belforte, Stefano; Candelise, Vieri; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; La Licata, Chiara; Marone, Matteo; Schizzi, Andrea; Umer, Tomo; Zanetti, Anna; Chang, Sunghyun; Kropivnitskaya, Anna; Nam, Soon-Kwon; Kim, Dong Hee; Kim, Gui Nyun; Kim, Min Suk; Kong, Dae Jung; Lee, Sangeun; Oh, Young Do; Park, Hyangkyu; Sakharov, Alexandre; Son, Dong-Chul; Kim, Tae Jeong; Kim, Jae Yool; Song, Sanghyeon; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Yongsun; Lee, Byounghoon; Lee, Kyong Sei; Park, Sung Keun; Roh, Youn; Choi, Minkyoo; Kim, Ji Hyun; Park, Inkyu; Ryu, Geonmo; Ryu, Min Sang; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Donghyun; Kwon, Eunhyang; Lee, Jongseok; Seo, Hyunkwan; Yu, Intae; Juodagalvis, Andrius; Komaragiri, Jyothsna Rani; Md Ali, Mohd Adli Bin; Casimiro Linares, Edgar; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Hernandez-Almada, Alberto; Lopez-Fernandez, Ricardo; Sánchez Hernández, Alberto; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Pedraza, Isabel; Salazar Ibarguen, Humberto Antonio; Morelos Pineda, Antonio; Krofcheck, David; Butler, Philip H; Reucroft, Steve; Ahmad, Ashfaq; Ahmad, Muhammad; Hassan, Qamar; Hoorani, Hafeez R; Khan, Wajid Ali; Khurshid, Taimoor; Shoaib, Muhammad; Bialkowska, Helena; Bluj, Michal; Boimska, Bożena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Zalewski, Piotr; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Olszewski, Michał; Wolszczak, Weronika; Bargassa, Pedrame; Beirão Da Cruz E Silva, Cristóvão; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Lloret Iglesias, Lara; Nguyen, Federico; Rodrigues Antunes, Joao; Seixas, Joao; Varela, Joao; Vischia, Pietro; Afanasiev, Serguei; Bunin, Pavel; Gavrilenko, Mikhail; Golutvin, Igor; Gorbunov, Ilya; Kamenev, Alexey; Karjavin, Vladimir; Konoplyanikov, Viktor; Lanev, Alexander; Malakhov, Alexander; Matveev, Viktor; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Shmatov, Sergey; Skatchkov, Nikolai; Smirnov, Vitaly; Zarubin, Anatoli; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Gavrilov, Vladimir; Lychkovskaya, Natalia; Popov, Vladimir; Pozdnyakov, Ivan; Safronov, Grigory; Semenov, Sergey; Spiridonov, Alexander; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Belyaev, Andrey; Boos, Edouard; Dubinin, Mikhail; Dudko, Lev; Ershov, Alexander; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Lokhtin, Igor; Obraztsov, Stepan; Petrushanko, Sergey; Savrin, Viktor; Snigirev, Alexander; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Kachanov, Vassili; Kalinin, Alexey; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Ekmedzic, Marko; Milosevic, Jovan; Rekovic, Vladimir; Alcaraz Maestre, Juan; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Domínguez Vázquez, Daniel; Escalante Del Valle, Alberto; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Navarro De Martino, Eduardo; Pérez-Calero Yzquierdo, Antonio María; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Senghi Soares, Mara; Albajar, Carmen; de Trocóniz, Jorge F; Missiroli, Marino; Moran, Dermot; Brun, Hugues; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Duarte Campderros, Jordi; Fernandez, Marcos; Gomez, Gervasio; Graziano, Alberto; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Piedra Gomez, Jonatan; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Bachtis, Michail; Baillon, Paul; Ball, Austin; Barney, David; Benaglia, Andrea; Bendavid, Joshua; Benhabib, Lamia; Benitez, Jose F; Bernet, Colin; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Bondu, Olivier; Botta, Cristina; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Colafranceschi, Stefano; D'Alfonso, Mariarosaria; D'Enterria, David; Dabrowski, Anne; David Tinoco Mendes, Andre; De Guio, Federico; De Roeck, Albert; De Visscher, Simon; Di Marco, Emanuele; Dobson, Marc; Dordevic, Milos; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Eugster, Jürg; Franzoni, Giovanni; Funk, Wolfgang; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Girone, Maria; Glege, Frank; Guida, Roberto; Gundacker, Stefan; Guthoff, Moritz; Hammer, Josef; Hansen, Magnus; Harris, Philip; Hegeman, Jeroen; Innocente, Vincenzo; Janot, Patrick; Kousouris, Konstantinos; Krajczar, Krisztian; Lecoq, Paul; Lourenco, Carlos; Magini, Nicolo; Malgeri, Luca; Mannelli, Marcello; Marrouche, Jad; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moortgat, Filip; Morovic, Srecko; Mulders, Martijn; Musella, Pasquale; Orsini, Luciano; Pape, Luc; Perez, Emmanuelle; Perrozzi, Luca; Petrilli, Achille; Petrucciani, Giovanni; Pfeiffer, Andreas; Pierini, Maurizio; Pimiä, Martti; Piparo, Danilo; Plagge, Michael; Racz, Attila; Rolandi, Gigi; Rovere, Marco; Sakulin, Hannes; Schäfer, Christoph; Schwick, Christoph; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Steggemann, Jan; Stieger, Benjamin; Stoye, Markus; Takahashi, Yuta; Treille, Daniel; Tsirou, Andromachi; Veres, Gabor Istvan; Wardle, Nicholas; Wöhri, Hermine Katharina; Wollny, Heiner; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; Kotlinski, Danek; Langenegger, Urs; Renker, Dieter; Rohe, Tilman; Bachmair, Felix; Bäni, Lukas; Bianchini, Lorenzo; Buchmann, Marco-Andrea; Casal, Bruno; Chanon, Nicolas; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Dünser, Marc; Eller, Philipp; Grab, Christoph; Hits, Dmitry; Hoss, Jan; Lustermann, Werner; Mangano, Boris; Marini, Andrea Carlo; Martinez Ruiz del Arbol, Pablo; Masciovecchio, Mario; Meister, Daniel; Mohr, Niklas; Nägeli, Christoph; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pauss, Felicitas; Peruzzi, Marco; Quittnat, Milena; Rebane, Liis; Rossini, Marco; Starodumov, Andrei; Takahashi, Maiko; Theofilatos, Konstantinos; Wallny, Rainer; Weber, Hannsjoerg Artur; Amsler, Claude; Canelli, Maria Florencia; Chiochia, Vincenzo; De Cosa, Annapaola; Hinzmann, Andreas; Hreus, Tomas; Kilminster, Benjamin; Lange, Clemens; Millan Mejias, Barbara; Ngadiuba, Jennifer; Robmann, Peter; Ronga, Frederic Jean; Taroni, Silvia; Verzetti, Mauro; Yang, Yong; Cardaci, Marco; Chen, Kuan-Hsin; Ferro, Cristina; Kuo, Chia-Ming; Lin, Willis; Lu, Yun-Ju; Volpe, Roberta; Yu, Shin-Shan; Chang, Paoti; Chang, You-Hao; Chang, Yu-Wei; Chao, Yuan; Chen, Kai-Feng; Chen, Po-Hsun; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Kao, Kai-Yi; Lei, Yeong-Jyi; Liu, Yueh-Feng; Lu, Rong-Shyang; Majumder, Devdatta; Petrakou, Eleni; Tzeng, Yeng-Ming; Wilken, Rachel; Asavapibhop, Burin; Singh, Gurpreet; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Gurpinar, Emine; Hos, Ilknur; Kangal, Evrim Ersin; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Mehmet; Akin, Ilina Vasileva; Bilin, Bugra; Bilmis, Selcuk; Gamsizkan, Halil; Karapinar, Guler; Ocalan, Kadir; Sekmen, Sezen; Surat, Ugur Emrah; Yalvac, Metin; Zeyrek, Mehmet; Albayrak, Elif Asli; Gülmez, Erhan; Isildak, Bora; Kaya, Mithat; Kaya, Ozlem; Yetkin, Taylan; Cankocak, Kerem; Vardarli, Fuat Ilkehan; Levchuk, Leonid; Sorokin, Pavel; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Jacob, Jeson; Kreczko, Lukasz; Lucas, Chris; Meng, Zhaoxia; Newbold, Dave M; Paramesvaran, Sudarshan; Poll, Anthony; Senkin, Sergey; Smith, Vincent J; Williams, Thomas; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Olaiya, Emmanuel; Petyt, David; Shepherd-Themistocleous, Claire; Thea, Alessandro; Tomalin, Ian R; Womersley, William John; Worm, Steven; Baber, Mark; Bainbridge, Robert; Buchmuller, Oliver; Burton, Darren; Colling, David; Cripps, Nicholas; Cutajar, Michael; Dauncey, Paul; Davies, Gavin; Della Negra, Michel; Dunne, Patrick; Ferguson, William; Fulcher, Jonathan; Futyan, David; Gilbert, Andrew; Hall, Geoffrey; Iles, Gregory; Jarvis, Martyn; Karapostoli, Georgia; Kenzie, Matthew; Lane, Rebecca; Lucas, Robyn; Lyons, Louis; Magnan, Anne-Marie; Malik, Sarah; Mathias, Bryn; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Pesaresi, Mark; Petridis, Konstantinos; Raymond, David Mark; Rogerson, Samuel; Rose, Andrew; Seez, Christopher; Sharp, Peter; Tapper, Alexander; Vazquez Acosta, Monica; Virdee, Tejinder; Zenz, Seth Conrad; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Leggat, Duncan; Leslie, Dawn; Martin, William; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Dittmann, Jay; Hatakeyama, Kenichi; Kasmi, Azeddine; Liu, Hongxuan; Scarborough, Tara; Charaf, Otman; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; Avetisyan, Aram; Bose, Tulika; Fantasia, Cory; Lawson, Philip; Richardson, Clint; Rohlf, James; St John, Jason; Sulak, Lawrence; Alimena, Juliette; Berry, Edmund; Bhattacharya, Saptaparna; Christopher, Grant; Cutts, David; Demiragli, Zeynep; Dhingra, Nitish; Ferapontov, Alexey; Garabedian, Alex; Heintz, Ulrich; Kukartsev, Gennadiy; Laird, Edward; Landsberg, Greg; Luk, Michael; Narain, Meenakshi; Segala, Michael; Sinthuprasith, Tutanon; Speer, Thomas; Swanson, Joshua; Breedon, Richard; Breto, Guillermo; Calderon De La Barca Sanchez, Manuel; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Erbacher, Robin; Gardner, Michael; Ko, Winston; Lander, Richard; Miceli, Tia; Mulhearn, Michael; Pellett, Dave; Pilot, Justin; Ricci-Tam, Francesca; Searle, Matthew; Shalhout, Shalhout; Smith, John; Squires, Michael; Stolp, Dustin; Tripathi, Mani; Wilbur, Scott; Yohay, Rachel; Cousins, Robert; Everaerts, Pieter; Farrell, Chris; Hauser, Jay; Ignatenko, Mikhail; Rakness, Gregory; Takasugi, Eric; Valuev, Vyacheslav; Weber, Matthias; Burt, Kira; Clare, Robert; Ellison, John Anthony; Gary, J William; Hanson, Gail; Heilman, Jesse; Ivova Rikova, Mirena; Jandir, Pawandeep; Kennedy, Elizabeth; Lacroix, Florent; Long, Owen Rosser; Luthra, Arun; Malberti, Martina; Olmedo Negrete, Manuel; Shrinivas, Amithabh; Sumowidagdo, Suharyo; Wimpenny, Stephen; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; D'Agnolo, Raffaele Tito; Holzner, André; Kelley, Ryan; Klein, Daniel; Letts, James; Macneill, Ian; Olivito, Dominick; Padhi, Sanjay; Palmer, Christopher; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Sudano, Elizabeth; Tadel, Matevz; Tu, Yanjun; Vartak, Adish; Welke, Charles; Würthwein, Frank; Yagil, Avraham; Barge, Derek; Bradmiller-Feld, John; Campagnari, Claudio; Danielson, Thomas; Dishaw, Adam; Dutta, Valentina; Flowers, Kristen; Franco Sevilla, Manuel; Geffert, Paul; George, Christopher; Golf, Frank; Gouskos, Loukas; Incandela, Joe; Justus, Christopher; Mccoll, Nickolas; Richman, Jeffrey; Stuart, David; To, Wing; West, Christopher; Yoo, Jaehyeok; Apresyan, Artur; Bornheim, Adolf; Bunn, Julian; Chen, Yi; Duarte, Javier; Mott, Alexander; Newman, Harvey B; Pena, Cristian; Rogan, Christopher; Spiropulu, Maria; Timciuc, Vladlen; Vlimant, Jean-Roch; Wilkinson, Richard; Xie, Si; Zhu, Ren-Yuan; Azzolini, Virginia; Calamba, Aristotle; Carlson, Benjamin; Ferguson, Thomas; Iiyama, Yutaro; Paulini, Manfred; Russ, James; Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Ford, William T; Gaz, Alessandro; Krohn, Michael; Luiggi Lopez, Eduardo; Nauenberg, Uriel; Smith, James; Stenson, Kevin; Ulmer, Keith; Wagner, Stephen Robert; Alexander, James; Chatterjee, Avishek; Chaves, Jorge; Chu, Jennifer; Dittmer, Susan; Eggert, Nicholas; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Skinnari, Louise; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Tucker, Jordan; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Apollinari, Giorgio; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bolla, Gino; Burkett, Kevin; Butler, Joel Nathan; Cheung, Harry; Chlebana, Frank; Cihangir, Selcuk; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gao, Yanyan; Gottschalk, Erik; Gray, Lindsey; Green, Dan; Grünendahl, Stefan; Gutsche, Oliver; Hanlon, Jim; Hare, Daryl; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Kaadze, Ketino; Klima, Boaz; Kreis, Benjamin; Kwan, Simon; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Liu, Tiehui; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Martinez Outschoorn, Verena Ingrid; Maruyama, Sho; Mason, David; McBride, Patricia; Merkel, Petra; Mishra, Kalanand; Mrenna, Stephen; Musienko, Yuri; Nahn, Steve; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Sharma, Seema; Soha, Aron; Spalding, William J; Spiegel, Leonard; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitbeck, Andrew; Whitmore, Juliana; Yang, Fan; Acosta, Darin; Avery, Paul; Bortignon, Pierluigi; Bourilkov, Dimitri; Carver, Matthew; Cheng, Tongguang; Curry, David; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Field, Richard D; Fisher, Matthew; Furic, Ivan-Kresimir; Hugon, Justin; Konigsberg, Jacobo; Korytov, Andrey; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Rinkevicius, Aurelijus; Shchutska, Lesya; Snowball, Matthew; Sperka, David; Yelton, John; Zakaria, Mohammed; Hewamanage, Samantha; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Diamond, Brendan; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Hohlmann, Marcus; Kalakhety, Himali; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Bazterra, Victor Eduardo; Berry, Douglas; Betts, Russell Richard; Bucinskaite, Inga; Cavanaugh, Richard; Evdokimov, Olga; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Khalatyan, Samvel; Kurt, Pelin; Moon, Dong Ho; O'Brien, Christine; Silkworth, Christopher; Turner, Paul; Varelas, Nikos; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Duru, Firdevs; Haytmyradov, Maksat; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Penzo, Aldo; Rahmat, Rahmat; Sen, Sercan; Tan, Ping; Tiras, Emrah; Wetzel, James; Yi, Kai; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Gritsan, Andrei; Maksimovic, Petar; Martin, Christopher; Swartz, Morris; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Bruner, Christopher; Kenny III, Raymond Patrick; Malek, Magdalena; Murray, Michael; Noonan, Daniel; Sanders, Stephen; Sekaric, Jadranka; Stringer, Robert; Wang, Quan; Wood, Jeffrey Scott; Chakaberia, Irakli; Ivanov, Andrew; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Saini, Lovedeep Kaur; Shrestha, Shruti; Skhirtladze, Nikoloz; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Rebassoo, Finn; Wright, Douglas; Baden, Drew; Belloni, Alberto; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Kellogg, Richard G; Kolberg, Ted; Lu, Ying; Marionneau, Matthieu; Mignerey, Alice; Pedro, Kevin; Skuja, Andris; Tonjes, Marguerite; Tonwar, Suresh C; Apyan, Aram; Barbieri, Richard; Bauer, Gerry; Busza, Wit; Cali, Ivan Amos; Chan, Matthew; Di Matteo, Leonardo; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Gulhan, Doga; Klute, Markus; Lai, Yue Shi; Lee, Yen-Jie; Levin, Andrew; Luckey, Paul David; Ma, Teng; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Stephans, George; Stöckli, Fabian; Sumorok, Konstanty; Velicanu, Dragos; Veverka, Jan; Wyslouch, Bolek; Yang, Mingming; Zanetti, Marco; Zhukova, Victoria; Dahmes, Bryan; Gude, Alexander; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Pastika, Nathaniel; Rusack, Roger; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Acosta, John Gabriel; Oliveros, Sandra; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Claes, Daniel R; Dominguez, Aaron; Gonzalez Suarez, Rebeca; Keller, Jason; Knowlton, Dan; Kravchenko, Ilya; Lazo-Flores, Jose; Malik, Sudhir; Meier, Frank; Snow, Gregory R; Zvada, Marian; Dolen, James; Godshalk, Andrew; Iashvili, Ia; Kharchilava, Avto; Kumar, Ashish; Rappoccio, Salvatore; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Haley, Joseph; Massironi, Andrea; Morse, David Michael; Nash, David; Orimoto, Toyoko; Trocino, Daniele; Wang, Ren-Jie; Wood, Darien; Zhang, Jinzhong; Hahn, Kristan Allan; Kubik, Andrew; Mucia, Nicholas; Odell, Nathaniel; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael Henry; Stoynev, Stoyan; Sung, Kevin; Velasco, Mayda; Won, Steven; Brinkerhoff, Andrew; Chan, Kwok Ming; Drozdetskiy, Alexey; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kellams, Nathan; Lannon, Kevin; Luo, Wuming; Lynch, Sean; Marinelli, Nancy; Pearson, Tessa; Planer, Michael; Ruchti, Randy; Valls, Nil; Wayne, Mitchell; Wolf, Matthias; Woodard, Anna; Antonelli, Louis; Brinson, Jessica; Bylsma, Ben; Durkin, Lloyd Stanley; Flowers, Sean; Hart, Andrew; Hill, Christopher; Hughes, Richard; Kotov, Khristian; Ling, Ta-Yung; Puigh, Darren; Rodenburg, Marissa; Smith, Geoffrey; Winer, Brian L; Wolfe, Homer; Wulsin, Howard Wells; Driga, Olga; Elmer, Peter; Hardenbrook, Joshua; Hebda, Philip; Hunt, Adam; Koay, Sue Ann; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zuranski, Andrzej; Brownson, Eric; Mendez, Hector; Ramirez Vargas, Juan Eduardo; Barnes, Virgil E; Benedetti, Daniele; Bortoletto, Daniela; De Mattia, Marco; Gutay, Laszlo; Hu, Zhen; Jha, Manoj; Jones, Matthew; Jung, Kurt; Kress, Matthew; Leonardo, Nuno; Lopes Pegna, David; Maroussov, Vassili; Miller, David Harry; Neumeister, Norbert; Radburn-Smith, Benjamin Charles; Shi, Xin; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Wang, Fuqiang; Xie, Wei; Xu, Lingshan; Yoo, Hwi Dong; Zablocki, Jakub; Zheng, Yu; Parashar, Neeti; Stupak, John; Adair, Antony; Akgun, Bora; Ecklund, Karl Matthew; Geurts, Frank JM; Li, Wei; Michlin, Benjamin; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; Covarelli, Roberto; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Ferbel, Thomas; Garcia-Bellido, Aran; Goldenzweig, Pablo; Han, Jiyeon; Harel, Amnon; Khukhunaishvili, Aleko; Petrillo, Gianluca; Vishnevskiy, Dmitry; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Lungu, Gheorghe; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Kaplan, Steven; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Patel, Rishi; Salur, Sevil; Schnetzer, Steve; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Thomassen, Peter; Walker, Matthew; Rose, Keith; Spanier, Stefan; York, Andrew; Bouhali, Othmane; Castaneda Hernandez, Alfredo; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Krutelyov, Vyacheslav; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Perloff, Alexx; Roe, Jeffrey; Rose, Anthony; Safonov, Alexei; Sakuma, Tai; Suarez, Indara; Tatarinov, Aysen; Akchurin, Nural; Cowden, Christopher; Damgov, Jordan; Dragoiu, Cosmin; Dudero, Phillip Russell; Faulkner, James; Kovitanggoon, Kittikul; Kunori, Shuichi; Lee, Sung Won; Libeiro, Terence; Volobouev, Igor; Appelt, Eric; Delannoy, Andrés G; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Maguire, Charles; Mao, Yaxian; Melo, Andrew; Sharma, Monika; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Li, Hengne; Lin, Chuanzhe; Neu, Christopher; Wood, John; Clarke, Christopher; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sturdy, Jared; Belknap, Donald; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Dodd, Laura; Duric, Senka; Friis, Evan; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Lanaro, Armando; Lazaridis, Christos; Levine, Aaron; Loveless, Richard; Mohapatra, Ajit; Ojalvo, Isabel; Perry, Thomas; Pierro, Giuseppe Antonio; Polese, Giovanni; Ross, Ian; Sarangi, Tapas; Savin, Alexander; Smith, Wesley H; Taylor, Devin; Verwilligen, Piet; Vuosalo, Carl; Woods, Nathaniel

    2015-06-26

    The inclusive jet cross section for proton-proton collisions at a centre-of-mass energy of 7$~\\mathrm{TeV}$ was measured by the CMS Collaboration at the LHC with data corresponding to an integrated luminosity of 5.0$~\\mathrm{fb}^{-1}$. The measurement covers a phase space up to 2$~\\mathrm{TeV}$ in jet transverse momentum and 2.5 in absolute jet rapidity. The statistical precision of these data leads to stringent constraints on the parton distribution functions of the proton. The data provide important input for the gluon density at high fractions of the proton momentum and for the strong coupling constant at large energy scales. Using predictions from perturbative quantum chromodynamics at next-to-leading order, complemented with electroweak corrections, the constraining power of these data is investigated and the strong coupling constant at the Z boson mass $M_{\\mathrm{Z}}$ is determined to be $\\alpha_S(M_{\\mathrm{Z}}) = 0.1185 \\pm 0.0019\\,(\\mathrm{exp})\\,^{+0.0060}_{-0.0037}\\,(\\mathrm{theo})$, which is in a...

  5. Equilibrium sampling for a thermodynamic assessment of contaminated sediments

    DEFF Research Database (Denmark)

    Mayer, Philipp; Nørgaard Schmidt, Stine; Mäenpää, Kimmo

    valid equilibrium sampling (method incorporated QA/QC). The measured equilibrium concentrations in silicone (Csil) can then be divided by silicone/water partition ratios to yield Cfree. CSil can also be compared to CSil from silicone equilibrated with biota in order to determine the equilibrium status...... will focus at the latest developments in equilibrium sampling concepts and methods. Further, we will explain how these approaches can provide a new basis for a thermodynamic assessment of polluted sediments.......Hydrophobic organic contaminants (HOCs) reaching the aquatic environment are largely stored in sediments. The risk of contaminated sediments is challenging to assess since traditional exhaustive extraction methods yield total HOC concentrations, whereas freely dissolved concentrations (Cfree...

  6. Extraction of the strong coupling constant from the measurement of inclusive multijet event cross-sections in pp collisions at center of mass energy of 8 TeV

    CERN Document Server

    Kaur, Anterpreet

    2017-01-01

    A measurement of inclusive multijet event cross sections is presented from proton-proton collisions recorded at 8 TeV with the CMS detector and corresponding to an integrated luminosity of 19.7/fb. Jets are reconstructed with the anti-kt clustering algorithm for a jet size parameter R=0.7 in a phase space region ranging up to jet transverse momenta pT of 2.0 TeV and rapidity of IyI lt 2.5. The inclusive 2-jet and 3-jet event cross sections are measured as a function of the average pT of the two leading jets. The results are compared to fixed-order predictions of perturbative QCD and to simulations using various Monte Carlo event generators including parton showers, hadronisation, and multiparton interactions. A fit of the strong coupling constant is performed with the ratio of the 3-jet over 2-jet event cross section.

  7. Lattice constant measurement from electron backscatter diffraction patterns

    DEFF Research Database (Denmark)

    Saowadee, Nath; Agersted, Karsten; Bowen, Jacob R.

    2017-01-01

    Kikuchi bands in election backscattered diffraction patterns (EBSP) contain information about lattice constants of crystallographic samples that can be extracted via the Bragg equation. An advantage of lattice constant measurement from EBSPs over diffraction (XRD) is the ability to perform local ...

  8. Calculation of radon concentration in water by toluene extraction method

    Energy Technology Data Exchange (ETDEWEB)

    Saito, Masaaki [Tokyo Metropolitan Isotope Research Center (Japan)

    1997-02-01

    Noguchi method and Horiuchi method have been used as the calculation method of radon concentration in water. Both methods have two problems in the original, that is, the concentration calculated is changed by the extraction temperature depend on the incorrect solubility data and the concentration calculated are smaller than the correct values, because the radon calculation equation does not true to the gas-liquid equilibrium theory. However, the two problems are solved by improving the radon equation. I presented the Noguchi-Saito equation and the constant B of Horiuchi-Saito equation. The calculating results by the improved method showed about 10% of error. (S.Y.)

  9. Extraction Behaviour of Hexavalent Plutonium in the System of Dilute TBP/Kerosene

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    On the basis of the preparation and stabilization of Pu(Ⅵ), the distribution of it between dilute TBP/kerosene and aqueous phase is studied. The influences of the concentration of TBP, HNO3, A1(NO3)3, TBP and UO2(NO3)2 on the extraction of Pu(Ⅵ) by 5%TBP/kerosene are investigated at 28 ℃. The extraction reaction equation, the corresponding apparent equilibrium constant and the free energy change of it at temperature of 28 ℃ are obtained as follows:

  10. A Variant of Davenport's Constant

    Indian Academy of Sciences (India)

    R Thangadurai

    2007-05-01

    Let be a prime number. Let be a finite abelian -group of exponent (written additively) and be a non-empty subset of $]n[:=\\{1,2,\\ldots,n\\}$ such that elements of are incongruent modulo and non-zero modulo . Let $k ≥ D(G)/|A|$ be any integer where () denotes the well-known Davenport’s constant. In this article, we prove that for any sequence $g_1,g_2,\\ldots,g_k$ (not necessarily distinct) in , one can always extract a subsequence $g_{i_1},g_{i_2},\\ldots,g_{i_l}$ with $1 ≤ l ≤ k$ such that $$\\sum\\limits_{j=1}^l a_j g_{i_j}=0 \\text{in} G,$$ where $a_j\\in A$ for all . We provide examples where this bound cannot be improved. Furthermore, for the cyclic groups, we prove some sharp results in this direction. In the last section, we explore the relation between this problem and a similar problem with prescribed length. The proof of Theorem 1 uses group-algebra techniques, while for the other theorems, we use elementary number theory techniques.

  11. Self-graviting Gas Spheres in Equilibrium State

    CERN Document Server

    Smirnov, Andrei

    2015-01-01

    In the paper we discuss equilibrium states of stars, using a simplified analytic model. A star is considered as self-graviting body of gas. We use a condition for the equilibrium state of the body in the form of a differential equation, which relates the pressure distribution and mass density in the body. The density distributions of constant, potential, gaussian, and exponential forms are discussed. Exact expressions for the distribution of mass and pressure along the radial direction, and the central pressure were obtained.

  12. Stabilization of third-order bilinear systems using constant controls

    Directory of Open Access Journals (Sweden)

    A. E. Golubev

    2014-01-01

    Full Text Available This paper deals with the zero equilibrium stabilization for dynamical systems that have control input singularities. A dynamical system with scalar control input is called nonregular if the coefficient of input becomes null on a subset of the phase space that contains the origin. One of the classes of nonregular dynamical systems is represented by bilinear systems. In case of second-order bilinear systems the necessary and sufficient conditions for the zero equilibrium stabilizability are known in the literature. However, in general case the stabilization problem in the presence of control input singularities has not been solved yet.In this note we solve the problem of the zero equilibrium stabilization for the third-order bilinear dynamical systems given in a canonical form. The solution is found in the class of constant controls. The necessary and sufficient conditions are obtained for the zero equilibrium stabilizability of the bilinear systems in question.The dependence of the zero equilibrium stabilizability on system parameter values is analyzed. The general criteria of stabilizability by means of constant controls are given for the bilinear systems in question. In case when all the system parameters have nonzero values the necessary and sufficient stabilizability conditions are proved. The case when some of the parameters are equal to zero is also considered.Further research can be focused on extending the obtained results to a higher-order case of bilinear and affine dynamical systems. The solution of the considered stabilization problem should also be found not only within constant controls but also in a class of state feedbacks, particularly, in the case when stabilizing constant control does not exist.One of the potential application areas for the obtained theoretical results is automatic control of technical plants like unmanned aerial vehicles and mobile robots.

  13. Financial Intermediation, Competition, and Risk : A General Equilibrium Exposition

    NARCIS (Netherlands)

    Di Nicolo, G.; Lucchetta, M.

    2010-01-01

    We study a simple general equilibrium model in which investment in a risky technology is subject to moral hazard and banks can extract market power rents. We show that more bank competition results in lower economy-wide risk, lower bank capital ratios, more efficient production plans and Pareto-rank

  14. Equilibrium-Staged Separations Using Matlab and Mathematica

    Science.gov (United States)

    Binous, Housam

    2008-01-01

    We show a new approach, based on the utilization of Matlab and Mathematica, for solving liquid-liquid extraction and binary distillation problems. In addition, the author shares his experience using these two softwares to teach equilibrium staged separations at the National Institute of Applied Sciences and Technology. (Contains 7 figures.)

  15. Equilibrium-Staged Separations Using Matlab and Mathematica

    Science.gov (United States)

    Binous, Housam

    2008-01-01

    We show a new approach, based on the utilization of Matlab and Mathematica, for solving liquid-liquid extraction and binary distillation problems. In addition, the author shares his experience using these two softwares to teach equilibrium staged separations at the National Institute of Applied Sciences and Technology. (Contains 7 figures.)

  16. On Generalized Vector Equilibrium Problems

    Institute of Scientific and Technical Information of China (English)

    An-hua Wan; Jun-yi Fu; Wei-hua Mao

    2006-01-01

    A new generalized vector equilibrium problem involving set-valued mappings and the proper quasi-concavity of set-valued mappings in topological vector spaces are introduced; its existence theorems and the convexity of the solution sets are established.

  17. Equilibrium and Orientation in Cephalopods.

    Science.gov (United States)

    Budelmann, Bernd-Ulrich

    1980-01-01

    Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)

  18. Equilibrium Electro-osmotic Instability

    CERN Document Server

    Rubinstein, Isaak

    2014-01-01

    Since its prediction fifteen years ago, electro-osmotic instability has been attributed to non-equilibrium electro-osmosis related to the extended space charge which develops at the limiting current in the course of concentration polarization at a charge-selective interface. This attribution had a double basis. Firstly, it has been recognized that equilibrium electro-osmosis cannot yield instability for a perfectly charge-selective solid. Secondly, it has been shown that non-equilibrium electro-osmosis can. First theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge-selectivity for the sake of simplicity and so did the subsequent numerical studies of various time-dependent and nonlinear features of electro-osmotic instability. In this letter, we show that relaxing the assumption of perfect charge-selectivity (tantamount to fixing the electrochemical potential in the solid) allows for equilibrium electro-osmotic instability. Moreover, we s...

  19. The Interacting and Non-constant Cosmological Constant

    CERN Document Server

    Verma, Murli Manohar

    2009-01-01

    We propose a time-varying cosmological constant with a fixed equation of state, which evolves mainly through its interaction with the background during most of the long history of the universe. However, such interaction does not exist in the very early and the late-time universe and produces the acceleration during these eras when it becomes very nearly a constant. It is found that after the initial inflationary phase, the cosmological constant, that we call as lambda parameter, rolls down from a large constant value to another but very small constant value and further dominates the present epoch showing up in form of the dark energy driving the acceleration.

  20. MATLAB simulation of preparation of Sm-loaded extractant directly from HEH(EHP)

    Institute of Scientific and Technical Information of China (English)

    CHENG Fuxiang; ZHANG Bo; WU Sheng; WANG Songling; LIU Yan; LIAO Chunsheng; YAN Chunhua

    2013-01-01

    Computer simulation of the preparation process loading rare earth (RE) directly from acidic extractant and RE chloride was established using MATLAB software.The mechanism of the extraction reaction was assumed,and then an experiment was conducted to confirm the mechanism and the apparent equilibrium constant of the reaction was determined as well.Owing to the involvement of H+ ion in the reaction between acidic extractant and RE chloride,the computer simulation of the process was more complicated than that of the extraction only between different rare earths.In the present work,MATLAB software was therefore introduced to handle the resolution of the complicated processing equation,and the simulation was performed by varying some key parameters including feed composition and phase ratio,etc.Consequently this work presented a simple method to simulate the H+ ion involved countercurrent extraction process of rare earths and also provided the practical references for the relative process designing.

  1. Synergistic extraction of trivalent lanthanoids with 3-phenyl-4-benzoyl-5-isoxazolone and various sulphoxides

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, S.K.; Chakravortty, V. [Utkal Univ., Bhubaneswar (India). Dept. of Chemistry; Reddy, M.L.P.; Ramamohan, T.R. [Council of Scientific and Industrial Research, Trivandrum (India). Regional Research Lab.

    1999-07-01

    Synergistic extraction of trivalent lanthanoids Nd, Tb and Tm with mixtures of 3-phenyl-4-benzoyl-5-isoxazolone (HPBI) and dioctyl sulphoxide (DOSO), bis-2-ethylhexyl sulphoxide (B2EHSO) or diphenyl sulphoxide (DPhSO) in xylene from perchlorate solution was investigated. Lanthanoids were found to be extracted as Ln(PBI){sub 3} with HPBI alone. In the presence of sulphoxides, Nd(III) was found to be extracted as Nd(PBI){sub 3} . S and Nd(PBI){sub 3} . 2 S (where S = sulphoxide). On the other hand, Tb(III) and Tm(III) were extracted as Tb(PBI){sub 3} . S and Tm(PBI){sub 3} . S respectively. The equilibrium constants of the synergistic species were found to increase monotonically with decreasing ionic radii of these metal ions. The addition of a sulphoxide to the metal chelate system not only enhances the extraction efficiency but also improves the selectivities among these trivalent lanthanoids. (orig.)

  2. Quantum Theory without Planck's Constant

    CERN Document Server

    Ralston, John P

    2012-01-01

    Planck's constant was introduced as a fundamental scale in the early history of quantum mechanics. We find a modern approach where Planck's constant is absent: it is unobservable except as a constant of human convention. Despite long reference to experiment, review shows that Planck's constant cannot be obtained from the data of Ryberg, Davisson and Germer, Compton, or that used by Planck himself. In the new approach Planck's constant is tied to macroscopic conventions of Newtonian origin, which are dispensable. The precision of other fundamental constants is substantially improved by eliminating Planck's constant. The electron mass is determined about 67 times more precisely, and the unit of electric charge determined 139 times more precisely. Improvement in the experimental value of the fine structure constant allows new types of experiment to be compared towards finding "new physics." The long-standing goal of eliminating reliance on the artifact known as the International Prototype Kilogram can be accompl...

  3. Binding equilibrium study of phosphotungstic acid and HSA or BSA with UV spectrum, fluorescence spectrum and equilibrium dialysis

    Institute of Scientific and Technical Information of China (English)

    HUANG; Jin(黄瑾); YUAN; Yuzhou(袁余洲); LIANG; Hong(梁宏)

    2002-01-01

    The binding equilibrium between phosphotungstic acid (H7[P(W2O7)6]@XH2O;PTA) and human serum albumin (HSA) or bovine serum albumin (BSA) has been studied by UV-Vis, fluorescence spectroscopies and equilibrium dialysis. It has been observed that UV absorption enhanced and the fluorescence quenched as the PTA binding to HSA or BSA at physiological pH 7.43( ± 0.02). The Scatchard analysis indicated that there exists a strong binding site of PTA in both HSA and BSA, and the successive stability constants of these two systems are obtained by nonlinear least-squares methods fitting Bjerrum formula.

  4. Non-equilibrium Steady-State Behavior in a Scale-Free Quantum Network

    Science.gov (United States)

    Zhao, Jianshi; Price, Craig; Liu, Qi; Gemelke, Nathan

    We describe the nonequilibrium dynamics of a cold atomic gas held in a spatially random optical potential and gravity, subject to a controlled amount of dissipation in the form of an extremely slow dark-state laser cooling process. Reaching local kinetic temperatures below the 100nK scale, such systems provide a novel context for observing the non-equilibrium steady-state (NESS) behavior of a disordered quantum system. For sufficiently deep potentials and strong dissipation, this system can be modeled by a self-organized version of directed percolation, and exhibits power-law decay of phase-space density with time due to the presence of absorbing clusters with a wide distribution of entropy and coupling rates. In the absence of dissipation, such a model cannot apply, and we observe the crossover to exponential loss of phase-space density. We provide measurements of the power-law decay constant by observing the non-equilibrium motion of atoms over a ten-minute period, consistent with γ = 0 . 31 +/- 0 . 04 , and extract scaling of the absorbed number with dissipation rate, showing another power-law behavior, with exponent 0 . 5 +/- 0 . 2 over two decades of optical excitation probability.

  5. Separation of baicalein from baicalin by means of solvent extraction; Yobai chushutsuho ni yoru baicalein /baicalin no bunri

    Energy Technology Data Exchange (ETDEWEB)

    Kitazaki, H.; Ishimaru, M. [Tsumura and Co., Ibaraki (Japan); Inoue, K.; Yoshida, K. [Saga University, Saga (Japan)

    1996-03-10

    In this work, solvent extraction behaviors of some commercial extractants such as tri-n-octylphosphine oxide (TOPO), Cyanex 923 and Cyanex 925 for baicalein and baicalin decocted from Suctellaria root, which is a crude drug, were examined to elucidate their mutual separation by solvent extraction. Baicalein was extracted selectively by trialkylphosphine oxides over baicalin. From analyses of the extraction mechanism the equilibrium constant of extraction reaction and enthalpy change were evaluated. A porous resin impregnated with Cyanex 923 in XAD-7 was prepared to remove baicalein from baicalin by using a column packed with the resin. Baicalein was able to be completely removed by this column operation. 10 refs., 11 figs., 1 tab.

  6. The Fisher Market Game: Equilibrium and Welfare

    DEFF Research Database (Denmark)

    Branzei, Simina; Chen, Yiling; Deng, Xiaotie

    2014-01-01

    functions, which are three representative classes of utility functions in the important Constant Elasticity of Substitution (CES) family. Furthermore, to quantify the social efficiency, we prove Price of Anarchy bounds for the game when the utility functions of buyers fall into these three classes......The Fisher market model is one of the most fundamental resource allocation models in economics. In a Fisher market, the prices and allocations of goods are determined according to the preferences and budgets of buyers to clear the market. In a Fisher market game, however, buyers are strategic...... and report their preferences over goods; the market-clearing prices and allocations are then determined based on their reported preferences rather than their real preferences. We show that the Fisher market game always has a pure Nash equilibrium, for buyers with linear, Leontief, and Cobb-Douglas utility...

  7. Equilibrium econophysics: A unified formalism for neoclassical economics and equilibrium thermodynamics

    Science.gov (United States)

    Sousa, Tânia; Domingos, Tiago

    2006-11-01

    We develop a unified conceptual and mathematical structure for equilibrium econophysics, i.e., the use of concepts and tools of equilibrium thermodynamics in neoclassical microeconomics and vice versa. Within this conceptual structure the results obtained in microeconomic theory are: (1) the definition of irreversibility in economic behavior; (2) the clarification that the Engel curve and the offer curve are not descriptions of real processes dictated by the maximization of utility at constant endowment; (3) the derivation of a relation between elasticities proving that economic elasticities are not all independent; (4) the proof that Giffen goods do not exist in a stable equilibrium; (5) the derivation that ‘economic integrability’ is equivalent to the generalized Le Chatelier principle and (6) the definition of a first order phase transition, i.e., a transition between separate points in the utility function. In thermodynamics the results obtained are: (1) a relation between the non-dimensional isothermal and adiabatic compressibilities and the increase or decrease in the thermodynamic potentials; (2) the distinction between mathematical integrability and optimization behavior and (3) the generalization of the Clapeyron equation.

  8. Ultrasound-assisted rapid extraction and kinetic modelling of influential factors: Extraction of camptothecin from Nothapodytes nimmoniana plant.

    Science.gov (United States)

    Patil, Dhiraj M; Akamanchi, Krishnacharya G

    2017-07-01

    Ultrasound-assisted extraction (UAE) of commercially important natural product camptothecin (CPT) from Nothapodytes nimmoniana plant has been investigated. The influences of process factors such as electric acoustic intensity, solid to liquid ratio, duty cycle, temperature and particle size on the maximum extraction yield and kinetic mechanisms of the entire extraction process have been investigated. The kinetics results showed that increasing the intensity, duty cycle, solid to liquid ratio and decreasing the particle size lead to substantial increase in extraction yields compared to classical stirring extraction. Different kinetic models were applied to fit the experimental data. The second order rate model appears to be the best. The extraction rate constant, initial extraction rate and the equilibrium concentration for all experimental conditions have been calculated. SEM analysis of spent plant material clearly showed hollow openings on cell structure, which could be directly correlated to explosive disruption by the action of ultrasound waves. Overall 1.7-fold increase in extraction yields of CPT (0.32% w/w) and decrease in time from 6h to 18min was observed over the stirring method. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Christoph Dellago

    2013-12-01

    Full Text Available As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations. This exact result, as well as the related Crooks fluctuation theorem, provide the basis for the computation of free energy differences from fast switching molecular dynamics simulations, in which an external parameter is changed at a finite rate, driving the system away from equilibrium. In this article, we first briefly review the Jarzynski identity and the Crooks fluctuation theorem and then survey various algorithms building on these relations. We pay particular attention to the statistical efficiency of these methods and discuss practical issues arising in their implementation and the analysis of the results.

  10. Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

    Science.gov (United States)

    Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

    2016-05-26

    The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

  11. Phase equilibrium between ferromagnetic hydrides in strong magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, I.; Yamaguchi, M. (Yokohama National Univ. (Japan). Faculty of Engineering); Goto, T.; Sakakibara, T. (Tokyo Univ. (Japan). Inst. for Solid State Physics)

    1989-01-01

    The equilibrium hydrogen pressures of the ferromagnetic SmCo{sub 5}H{sub x} and LaCo{sub 5}H{sub x} systems have been observed under the influence of magnetic fields up to 7T with a superconducting magnet and up to 14T with a Bitter-type electromagnet. Magnetic fields cause considerable rises in the equilibrium pressure. The logarithmic pressure change, In(P{sub 0}h/P{sub O}), is proportional to the magnitude of the field. The equilibrium constant of the LaCo{sub 5}H{sub x} system changes 21% by the applied field of 14T. The results can be explained by a thermodynamic theory with the aid of magnetic data. (orig.).

  12. Topologically protected modes in non-equilibrium stochastic systems

    CERN Document Server

    Murugan, Arvind

    2016-01-01

    Non-equilibrium driving of biochemical reactions is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enyzmatic specificity and maintenance of coherent oscillations. Non-equilibrium biochemical reactions can be modeled as a master equation whose rate constants break detailed balance. We find that non equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. We show that when a biochemical network can be decomposed into two ordered bulks that meet at a possibly disordered interferace, the ordered bulks can be each associated with a topologically invariant winding number. If the winding numbers are mismatched, we are guaranteed that the steady state distribution is localized at the interface between the bulks, even in the presence of strong disorder in reaction rates. We argue that our work provides a framew...

  13. Solvent extraction of uranium(VI) and thorium(IV) in nitric acid solution by N,N,N‘,N’—tetrabutyladipicamide

    Institute of Scientific and Technical Information of China (English)

    WangYou-Shao; BaoBo-Rong; 等

    1997-01-01

    N,N,N'N'-tetrabutyladipicamide(TBAA) has been synthesized,and applied to the extraction of U(VI) and Th(IV) from nitric acid solutions in a diluent composed of 0.50 volume fraction 1,2,4-trimethyl benzene (TMA) and 0.50 volume fraction kerosene(OK),The effects of the aueous nitric acid concentration,extractant concentration,slating-out agent (LiNO3) and temperature on extraction ability of TBAA for U(VI) and Th(IV) have been studied.Back Extraction of U(VI) and Th (IV) from organic phases were performed by dilute nitric acid.The compositions of extracted complexes,equilibrium constants and enthalpies of extraction reactions have also been estimated.The IR spectra of extraction of U(VI) and Th(IV) have been studied.

  14. Synergistic extraction of rare earth by mixtures of 2-ethylhexyl phosphoric acid mono-2-ethylhexyl ester and di-(2-ethylhexyl) phosphoric acid from sulfuric acid medium?

    Institute of Scientific and Technical Information of China (English)

    HUANG Xiaowei; LI Jianning; LONG Zhiqi; ZHANG Yongqi; XUE Xiangxin; ZHU Zhaowu

    2008-01-01

    The extraction of Nd3+ and Sm3+, including the extraction and stripping capability as well as the separation effect of Nd3+ or Sm3+, from a sulfuric acid medium, by mixtures of di-(2-ethylhexyl) phosphoric acid (HDEHP, H2A2(0)) and 2-ethylhexyl phosphoric acid mono-2-ethylhexyl ester (HEH/EHP, H2L2(0)) were studied. The distribution ratios and synergistic coefficients of Nd3+ and Sm3+ in different acidities were also determined. A synergistic extractive effect was found when HDEHP and HEH/EHP were used as mixed extractants for Sm3+ or Nd3+. The chemical compositions of the extracted complex were determined as Nd·(HA2)2·HL2 and Sm·(HA2)2·HL2. The extraction equilibrium constants, enthalpy change, and entropy change of the extraction reaction were also determined.

  15. Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation

    Science.gov (United States)

    Malekzadeh Moghani, Mahdy; Khomami, Bamin

    2016-01-01

    Macromolecules with ionizable groups are ubiquitous in biological and synthetic systems. Due to the complex interaction between chain and electrostatic decorrelation lengths, both equilibrium properties and micro-mechanical response of dilute solutions of polyelectrolytes (PEs) are more complex than their neutral counterparts. In this work, the bead-rod micromechanical description of a chain is used to perform hi-fidelity Brownian dynamics simulation of dilute PE solutions to ascertain the self-similar equilibrium behavior of PE chains with various linear charge densities, scaling of the Kuhn step length (lE) with salt concentration cs and the force-extension behavior of the PE chain. In accord with earlier theoretical predictions, our results indicate that for a chain with n Kuhn segments, lE ˜ cs-0.5 as linear charge density approaches 1/n. Moreover, the constant force ensemble simulation results accurately predict the initial non-linear force-extension region of PE chain recently measured via single chain experiments. Finally, inspired by Cohen's extraction of Warner's force law from the inverse Langevin force law, a novel numerical scheme is developed to extract a new elastic force law for real chains from our discrete set of force-extension data similar to Padè expansion, which accurately depicts the initial non-linear region where the total Kuhn length is less than the thermal screening length.

  16. Contribution to the thermodynamics of sc3+, y3+, la3+ and trivalent lanthanide cations in the two-phase water-nitrobenzene extraction system.

    Science.gov (United States)

    Makrlík, Emanuel; Vaňura, Petr

    2011-06-01

    From the exchange extraction constants corresponding to the general equilibrium M3+(aq) + 3H+(nb) M3+(nb) + 3H+(aq) occurring in the two-phase water-nitrobenzene system (M3+ = Sc3+, Y3+, La3+, Ce3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, Er3+, Tm3+, Yb3+, Lu3+; aq = aqueous phase, nb = nitrobenzene phase), the individual extraction constants of 16 trivalent metal cations were calculated. It was found that these individual extraction constants in the mentioned two-phase system increase in the following cation order: Sc3+ < Yb3+< Ho3+ < Er3+ < Tm3+, Lu3+ < Y3+, Dy3+ < Tb3+ < Gd3+ < Eu3+ < Sm3+ < Nd3+ < Pr3+ < La3+, Ce3+.

  17. $\\hbar$ as a Physical Constant of Classical Optics and Electrodynamics

    CERN Document Server

    Tremblay, Real; Allen, Claudine Ni

    2015-01-01

    The Planck constant ($\\hbar$) plays a pivotal role in quantum physics. Historically, it has been proposed as postulate, part of a genius empirical relationship $E=\\hbar \\omega$ in order to explain the intensity spectrum of the blackbody radiation for which classical electrodynamic theory led to an unacceptable prediction: The ultraviolet catastrophe. While the usefulness of the Planck constant in various fields of physics is undisputed, its derivation (or lack of) remains unsatisfactory from a fundamental point of view. In this paper, the analysis of the blackbody problem is performed with a series expansion of the electromagnetic field in terms of TE, TM modes in a metallic cavity with small losses, that leads to developing the electromagnetic fields in a \\textit{complete set of orthonormal functions}. This expansion, based on coupled power theory, maintains both space and time together enabling modeling of the blackbody's evolution toward equilibrium. Reaching equilibrium with a multimodal waveguide analysi...

  18. The Earth's Equilibrium Climate Sensitivity and Thermal Inertia

    CERN Document Server

    Royce, B S H

    2013-01-01

    The Earth's equilibrium climate sensitivity has received much attention because of its relevance and importance for global warming policymaking. This paper focuses on the Earth's \\emph{thermal inertia time scale} which has received relatively little attention. The difference between the observed transient climate sensitivity and the equilibrium climate sensitivity is shown to be proportional to the thermal inertia time scale, and the numerical value of the proportionality factor is determined using recent observational data. Many useful policymaking insights can be extracted from the resulting empirical quantitative relation.

  19. Physicochemical Perturbations of Phase Equilibriums

    CERN Document Server

    Dobruskin, Vladimir Kh

    2010-01-01

    The alternative approach to the displacement of gas/liquid equilibrium is developed on the basis of the Clapeyron equation. The phase transition in the system with well-established properties is taken as a reference process to search for the parameters of phase transition in the perturbed equilibrium system. The main equation, derived in the framework of both classical thermodynamics and statistical mechanics, establishes a correlation between variations of enthalpies of evaporation, \\Delta (\\Delta H), which is induced by perturbations, and the equilibrium vapor pressures. The dissolution of a solute, changing the surface shape, and the effect of the external field of adsorbents are considered as the perturbing actions on the liquid phase. The model provides the unified method for studying (1) solutions, (2) membrane separations (3) surface phenomena, and (4) effect of the adsorption field; it leads to the useful relations between \\Delta (\\Delta H), on the one hand, and the osmotic pressures, the Donnan poten...

  20. General equilibrium of an ecosystem.

    Science.gov (United States)

    Tschirhart, J

    2000-03-07

    Ecosystems and economies are inextricably linked: ecosystem models and economic models are not linked. Consequently, using either type of model to design policies for preserving ecosystems or improving economic performance omits important information. Improved policies would follow from a model that links the systems and accounts for the mutual feedbacks by recognizing how key ecosystem variables influence key economic variables, and vice versa. Because general equilibrium economic models already are widely used for policy making, the approach used here is to develop a general equilibrium ecosystem model which captures salient biological functions and which can be integrated with extant economic models. In the ecosystem model, each organism is assumed to be a net energy maximizer that must exert energy to capture biomass from other organisms. The exerted energies are the "prices" that are paid to biomass, and each organism takes the prices as signals over which it has no control. The maximization problem yields the organism's demand for and supply of biomass to other organisms as functions of the prices. The demands and supplies for each biomass are aggregated over all organisms in each species which establishes biomass markets wherein biomass prices are determined. A short-run equilibrium is established when all organisms are maximizing and demand equals supply in every biomass market. If a species exhibits positive (negative) net energy in equilibrium, its population increases (decreases) and a new equilibrium follows. The demand and supply forces in the biomass markets drive each species toward zero stored energy and a long-run equilibrium. Population adjustments are not based on typical Lotka-Volterra differential equations in which one entire population adjusts to another entire population thereby masking organism behavior; instead, individual organism behavior is central to population adjustments. Numerical simulations use a marine food web in Alaska to

  1. Incentives in Supply Function Equilibrium

    DEFF Research Database (Denmark)

    Vetter, Henrik

    2014-01-01

    The author analyses delegation in homogenous duopoly under the assumption that the firm-managers compete in supply functions. In supply function equilibrium, managers’ decisions are strategic complements. This reverses earlier findings in that the author finds that owners give managers incentives...... to act in an accommodating way. As a result, optimal delegation reduces per-firm output and increases profits to above-Cournot profits. Moreover, in supply function equilibrium the mode of competition is endogenous. This means that the author avoids results that are sensitive with respect to assuming...

  2. Incentives in Supply Function Equilibrium

    DEFF Research Database (Denmark)

    Vetter, Henrik

    2014-01-01

    to act in an accommodating way. As a result, optimal delegation reduces per-firm output and increases profits to above-Cournot profits. Moreover, in supply function equilibrium the mode of competition is endogenous. This means that the author avoids results that are sensitive with respect to assuming......The author analyses delegation in homogenous duopoly under the assumption that the firm-managers compete in supply functions. In supply function equilibrium, managers’ decisions are strategic complements. This reverses earlier findings in that the author finds that owners give managers incentives...

  3. Equilibrium in a Production Economy

    Energy Technology Data Exchange (ETDEWEB)

    Chiarolla, Maria B., E-mail: maria.chiarolla@uniroma1.it [Universita di Roma ' La Sapienza' , Dipartimento di Metodi e Modelli per l' Economia, il Territorio e la Finanza, Facolta di Economia (Italy); Haussmann, Ulrich G., E-mail: uhaus@math.ubc.ca [University of British Columbia, Department of Mathematics (Canada)

    2011-06-15

    Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.

  4. Contribution to the thermodynamics of 1-(2-thiazolylazo-2-naphthol in the water-nitrobenzene extraction system

    Directory of Open Access Journals (Sweden)

    PETR VANURA

    2000-08-01

    Full Text Available General relations among thermodynamic parameters characterizing chemical equilibria including species H2A+, HA, H+ and A- in both phases of a two-phase water-nitrobenzene extraction system have been derived. From the extraction measurements, the equilibrium distribution constant of electroneutral 1-(2-thiazolylazo-2-naphthol (TAN, HA between the nitrobenzene and aqueous phases has been determined: log KD(HA = 3.90±0.02. By using this value and further known constants and applying the mentioned relations, the following values of dissociation constants of TAN in nitrobenzene saturated with water have been calculated for a temperature of 25°C: pKdnb(H2A+ = -log Kdnb(H2A+ = 4.9 and pKdnb(HA = -log Kdnb(HA = 16.5.

  5. Stability constants of the Europium complexes with the chloride ions; Constantes de estabilidad de los complejos del europio con los iones cloruro

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez R, M.; Solache R, M.; Rojas H, A. [Instituto Nacional de Investigaciones Nucleares, Departamento de Quimica, A.P. 18-1027, C.P. 11801 Mexico D.F. (Mexico)

    2000-07-01

    The stability constants of lanthanides complexes with chloride ions which were determined at the same ionic force but in different media, are significantly different. It does not exist a systematic study over these stability constants. The purpose of this work is to determine the stability constants of the europium complexes with chloride ions at 303 K, by the solvents extraction method. (Author)

  6. Extraction Mechanism of Rare Earths with Sec-Octylphenoxy Acetic Acid by Two-Phase Titration Technique

    Institute of Scientific and Technical Information of China (English)

    乐善堂; 廖伍平; 李德谦; 苏锵

    2002-01-01

    The compositions of the extracted complexes of La, Gd, Er and Y with sec-octyl-phenoxy acetic acid in heptane and the related apparent extraction equilibrium constants KM were determined using two-phase titration technique. The stoichiometric compounds for La, Gd, Er and Y should be LaA3*2.5HA, GdA3*3HA, ErA3*3.1HA and YA3*4.3HA respectively. And their pKM are 3.43, 3.46, 3.08 and 2.58 respectively.

  7. Effect of diluents on the extraction of praseodymium and samarium by Cyanex 923 from acidic nitrate medium

    Institute of Scientific and Technical Information of China (English)

    YA; El-Nadi

    2010-01-01

    The solvent extraction of Pr(Ⅲ) and Sm(Ⅲ) with trialkyl phosphine oxide(Cyanex 923) in chloroform,carbon tetrachloride,n-octane,cyclohexane,1,2-dichloroethane,benzene,toluene,xylene and nitrobenzene from acidic nitrate medium was investigated.On the basis of slope analysis data,the composition of the extracted species was determined as(M(NO3)3?2CY923),CY923 refers to Cyanex 923.The values of the equilibrium constants and the separation factors were calculated.The effect of the diluents on the metal extracti...

  8. Measurable values, numbers and fundamental physical constants: Is the Boltzmann constant Kb a fundamental physical constant?

    Directory of Open Access Journals (Sweden)

    Bormashenko Edward

    2009-01-01

    Full Text Available The status of fundamental physical constants is discussed. The nature of fundamental physical constants is cleared up, based on the analysis of the Boltzmann constant. A new definition of measurable values, 'mathematical' and 'physical' numbers and fundamental physical constants is proposed. Mathematical numbers are defined as values insensitive to the choice of both units and frames of reference, whereas 'physical numbers' are dimensionless values, insensitive to transformations of units and sensitive to the transformations of the frames of reference. Fundamental constants are classified as values sensitive to transformations of the units and insensitive to transformations of the frames of reference. It is supposed that a fundamental physical constant necessarily allows diminishing the number of independent etalons in a system of units.

  9. Understanding Thermal Equilibrium through Activities

    Science.gov (United States)

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…

  10. Financial equilibrium with career concerns

    Directory of Open Access Journals (Sweden)

    Amil Dasgupta

    2006-03-01

    Full Text Available What are the equilibrium features of a financial market where a sizeable proportion of traders face reputational concerns? This question is central to our understanding of financial markets, which are increasingly dominated by institutional investors. We construct a model of delegated portfolio management that captures key features of the US mutual fund industry and embed it in an asset pricing framework. We thus provide a formal model of financial equilibrium with career concerned agents. Fund managers differ in their ability to understand market fundamentals, and in every period investors choose a fund. In equilibrium, the presence of career concerns induces uninformed fund managers to churn, i.e., to engage in trading even when they face a negative expected return. Churners act as noise traders and enhance the level of trading volume. The equilibrium relationship between fund return and net fund flows displays a skewed shape that is consistent with stylized facts. The robustness of our core results is probed from several angles.

  11. Equilibrium theory : A salient approach

    NARCIS (Netherlands)

    Schalk, S.

    1999-01-01

    Whereas the neoclassical models in General Equilibrium Theory focus on the existence of separate commodities, this thesis regards 'bundles of trade' as the unit objects of exchange. Apart from commodities and commodity bundles in the neoclassical sense, the term `bundle of trade' includes, for

  12. Constant-Pressure Hydraulic Pump

    Science.gov (United States)

    Galloway, C. W.

    1982-01-01

    Constant output pressure in gas-driven hydraulic pump would be assured in new design for gas-to-hydraulic power converter. With a force-multiplying ring attached to gas piston, expanding gas would apply constant force on hydraulic piston even though gas pressure drops. As a result, pressure of hydraulic fluid remains steady, and power output of the pump does not vary.

  13. Magnesium ionophore II as an extraction agent for trivalent europium and americium

    Energy Technology Data Exchange (ETDEWEB)

    Makrlik, Emanuel [Czech Univ. of Life Sciences, Prague (Czech Republic). Faculty of Environmental Sciences; Vanura, Petr [Univ. of Chemistry and Technology, Prague (Czech Republic). Dept. of Analytical Chemistry

    2016-11-01

    Solvent extraction of microamounts of trivalent europium and americium into nitrobenzene by using a mixture of hydrogen dicarbollylcobaltate (H{sup +}B{sup -}) and magnesium ionophore II (L) was studied. The equilibrium data were explained assuming that the species HL{sup +}, HL{sup +}{sub 2}, ML{sup 3+}{sub 2}, and ML{sup 3+}{sub 3} (M{sup 3+} = Eu{sup 3+}, Am{sup 3+}; L=magnesium, ionophore II) are extracted into the nitrobenzene phase. Extraction and stability constants of the cationic complex species in nitrobenzene saturated with water were determined and discussed. From the experimental results it is evident that this effective magnesium ionophore II receptor for the Eu{sup 3+} and Am{sup 3+} cations could be considered as a potential extraction agent for nuclear waste treatment.

  14. Concurrent fractional and equilibrium crystallisation

    Science.gov (United States)

    Sha, Lian-Kun

    2012-06-01

    This paper proposes the concept of concurrent fractional and equilibrium crystallisation (CFEC) in a multi-phase magmatic system in light of experimental results on diffusivities of elements and other species in minerals and melts. A group of equations are presented to describe how the concentrations of an element or isotope change in fractionated solid, equilibrated solid, melt, liquid, and gas phases, as well as in magma, as a function of distribution coefficients and mass fractions during the CFEC process. CFEC model is a generalised and unified formulation that is valid, not only for pure fractional crystallisation (FC) and perfect equilibrium crystallisation (EC) singly, as two of its limiting end-member cases, but also for the geologically more important process of concurrent fractional and equilibrium crystallisation. The concept that both fractional and equilibrium crystallisation can operate concurrently in a magmatic system, for a given element, among different minerals, and even within different-sized crystal grains of the very same mineral phase, is of fundamental importance in deepening our current understanding of magmatic differentiation processes. CFEC probably occurs more frequently in the natural world than either pure fractional or perfect equilibrium crystallisation alone, as a result of the interplay of varying diffusivities of elements under diverse physicochemical conditions, different residence time and growth rates of mineral phases in magmas, and varying grain sizes within each phase and among different phases. The marked systematic variations in trace element concentrations in the melts of the Bishop Tuff have long been perplexing and difficult to reconcile with existing models of differentiation. CFEC, which is able to better explain the scatter trends in a systematic way than fractional crystallisation, is considered to be the cause.

  15. The Effect of Variable Composition Equilibrium Thermochemistry in Constant Breech Pressure (CBP) Gun Simulations

    Science.gov (United States)

    2014-01-01

    Systems. This category includes several systems using GAP/ ADN and GAP/CL20 as propellant [13]. RESULTS AND DISCUSSION Calculations were performed...high impetus (ca. 1,300 and 1,400 J/g) GAP- ADN -CL20 propellant [13]. Nominal results were obtained for this series of six configurations except for the...systems. ACKNOWLEDGMENTS The author is indebted to Dr. Kevin White for helpful discussions, to Dr. Arpad Juhasz for information on the GAP- ADN -CL20

  16. On anharmonic and pressure corrections to the equilibrium isotopic constants for minerals

    Science.gov (United States)

    Polyakov, Veniamin B.

    1998-09-01

    Specifies of the calculations of the reduced isotopic partition function ratios (β-factor) of minerals are discussed. Comparative calculations in the framework of the fully harmonic, quasi-harmonic, and intrinsic anharmonic approximations show minor anharmonic corrections to the harmonic values of the β-factor. In the case of calcite, the difference between the fully harmonic and intrinsic anharmonic values of 10 3lnβ varies from 0.60 at 300 K to 0.37 at 1200 K and is close to typical values of the anharmonic correction in gas molecules. A new treatment for calculating isotopic effects in molar volumes of minerals and pressure effects on their β-factors is developed on the basis of the Mie-Grüneisen equation of state. There is no significant difference between the quasi-harmonic and intrinsic harmonic values of (∂lnβ/∂ P) T. For calcite, the pressure derivative of the β-factor is positive, decreases monotonically with temperature, and becomes small at T ˜ 1000 K (10 3(∂lnβ/ ∂P) T ≈ 0.1-0.15 GPa -1). These results contradict the large anharmonic and pressure effects to the β-factor of calcite calculated by Gillet et al. (1996) as well as their conclusion that the pressure correction to the β-factor of calcite is negative at higher temperatures and increases in its absolute value with increasing temperature.

  17. Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita

    2011-01-01

    We present a combined theoretical and experimental analysis of the solid–liquid interface of fused-silica nanofabricated channels with and without a hydrophilic 3-cyanopropyldimethylchlorosilane (cyanosilane) coating. We develop a model that relaxes the assumption that the surface parameters C1, C2...... filling length ratio on ionic strength for different surface compositions, which can be difficult to achieve otherwise....

  18. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    Science.gov (United States)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  19. Determination of diffuse double layer protonation constants for hydrous ferric oxide (HFO): supporting evidence for the Dzombak and Morel compilation

    CSIR Research Space (South Africa)

    Pretorius, PJ

    1998-01-01

    Full Text Available The acid-base properties of hydrous ferric oxide were studied by glass electrode potentiometry. From the potentiometric data, surface protonation constants were derived according to the Diffuse Double Layer convention. Chemical equilibrium modelling...

  20. On generalized operator quasi-equilibrium problems

    Science.gov (United States)

    Kum, Sangho; Kim, Won Kyu

    2008-09-01

    In this paper, we will introduce the generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which generalize the operator equilibrium problem due to Kazmi and Raouf [K.R. Kazmi, A. Raouf, A class of operator equilibrium problems, J. Math. Anal. Appl. 308 (2005) 554-564] into multi-valued and quasi-equilibrium problems. Using a Fan-Browder type fixed point theorem in [S. Park, Foundations of the KKM theory via coincidences of composites of upper semicontinuous maps, J. Korean Math. Soc. 31 (1994) 493-519] and an existence theorem of equilibrium for 1-person game in [X.-P. Ding, W.K. Kim, K.-K. Tan, Equilibria of non-compact generalized games with L*-majorized preferences, J. Math. Anal. Appl. 164 (1992) 508-517] as basic tools, we prove new existence theorems on generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which includes operator equilibrium problems.

  1. Extraction of lanthanides by polysulfone microcapsules containing EHPNA. I. Piercing method

    Institute of Scientific and Technical Information of China (English)

    靖宇; 王月; 侯海龙; 徐建鸿; 王运东

    2015-01-01

    Since the conventional liquid-liquid extraction method suffered from a series of problems such as inefficiency of one stage extraction, vast device occupation and severe emulsification, we adopted microcapsule (MC) technique to change the former liq-uid-liquid extraction to liquid-solid extraction. Firstly, the piercing method was performed to prepare the empty polysulfone (PSF) microcapsules, which was easy to implement and control. Secondly, the ultrasonic approach was utilized to prepare the functional microcapsules containing 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (EHPNA). We focused on a key factor of the molar ratio of PSF over 1-Methyl-2-pyrrolidinone (NMP), attaining a loading ratio as high as 7.21 g-EHPNA/g-PSF. Thirdly, we examined the kinetics and thermodynamics of extraction. Kinetic results demonstrated that equilibrium was reached within two hours, with an extraction rate of Sm3+≈Er3+>La3+; Thermodynamic results showed that the extraction of lanthanides complied with the Langmuir law, with an extraction capacity of 0.25–0.30 mmol/g-microcapsule. Fourthly, stripping experiment indicated that three hours were re-quired to accomplish equilibrium for La3+ and Sm3+ while longer hours for Er3+. Finally, seven extraction-stripping cyclic experiments were performed for three mixed elements, the results of which revealed that Sm3+ and Er3+ maintained constantly high extraction amount whilst La3+ leveled off at approximately 50%. This proposed polysulfone microcapsule containing EHPNA is suitable to be applied to extraction and concentration of rare earth metals.

  2. A Numerical Approach for Multicomponent Vapor Solid Equilibrium Calculations in Gas Hydrate Formation

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new numerical approach has been developed for vapor solid equilibrium calculations and for predicting vapor solid equilibrium constant and composition of vapor and solid phases in gas hydrate formation. Equation of state methods generally do a good job of determining vapor phase properties,but for solid phase it is much more difficult and inaccurate. This proposed new model calculates vapor solid equilibrium constant and vapor and solid phase composition as a function of temperature and partial pressure. The results of this proposed numerical approach, for vapor solid equilibrium, have a good agreement with the available reported data. This new numerical model also has an advantage to tune coefficients, to cover different sets of experimental data accurately.

  3. Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks

    Science.gov (United States)

    Kachan, Devin Michael

    Fluctuation-induced interactions are an important organizing principle in a variety of soft matter systems. In this dissertation, I explore the role of both thermal and active fluctuations within cross-linked polymer networks. The systems I study are in large part inspired by the amazing physics found within the cytoskeleton of eukaryotic cells. I first predict and verify the existence of a thermal Casimir force between cross-linkers bound to a semi-flexible polymer. The calculation is complicated by the appearance of second order derivatives in the bending Hamiltonian for such polymers, which requires a careful evaluation of the the path integral formulation of the partition function in order to arrive at the physically correct continuum limit and properly address ultraviolet divergences. I find that cross linkers interact along a filament with an attractive logarithmic potential proportional to thermal energy. The proportionality constant depends on whether and how the cross linkers constrain the relative angle between the two filaments to which they are bound. The interaction has important implications for the synthesis of biopolymer bundles within cells. I model the cross-linkers as existing in two phases: bound to the bundle and free in solution. When the cross-linkers are bound, they behave as a one-dimensional gas of particles interacting with the Casimir force, while the free phase is a simple ideal gas. Demanding equilibrium between the two phases, I find a discontinuous transition between a sparsely and a densely bound bundle. This discontinuous condensation transition induced by the long-ranged nature of the Casimir interaction allows for a similarly abrupt structural transition in semiflexible filament networks between a low cross linker density isotropic phase and a higher cross link density bundle network. This work is supported by the results of finite element Brownian dynamics simulations of semiflexible filaments and transient cross-linkers. I

  4. DETERMINATION OF STABILITY CONSTANTS OF MANGANESE (II ...

    African Journals Online (AJOL)

    DR. AMINU

    Keywords: Amino acids, dissociation constant, potentiometry, stability constant. INTRODUCTION ... constants of manganese (II) amino acid complexes using potentiometer. .... Principles of Biochemistry Third Edition,. Worth publishers, 41 ...

  5. Holding Costs and Equilibrium Arbitrage

    OpenAIRE

    Tuckman, Bruce; Vila, Jean-Luc

    1993-01-01

    This paper constructs a dynamic model of the equilibrium determination of relative prices when arbitragers face holding costs. The major findings are that 1) models based on riskless arbitrage arguments alone may not provide usefully tight bounds on observed prices, 2) arbitragers are often most effective in eliminating the mispricings of shorter-term assets, 3) arbitrage activity increases the mean reversion of changes in the mispricing process and reduces their conditional volatility, and 4...

  6. Monetary policy as equilibrium selection

    OpenAIRE

    Gaetano Antinolfi; Costas Azariadis; Bullard, James B.

    2007-01-01

    Can monetary policy guide expectations toward desirable outcomes when equilibrium and welfare are sensitive to alternative, commonly held rational beliefs? This paper studies this question in an exchange economy with endogenous debt limits in which dynamic complementarities between dated debt limits support two Pareto-ranked steady states: a suboptimal, locally stable autarkic state and a constrained optimal, locally unstable trading state. The authors identify feedback policies that reverse ...

  7. Korshunov instantons out of equilibrium

    Science.gov (United States)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  8. An introduction to equilibrium thermodynamics

    CERN Document Server

    Morrill, Bernard; Hartnett, James P; Hughes, William F

    1973-01-01

    An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a

  9. Organization of extracting molecules in organic phase: consequences on the extracting properties; Organisation des molecules extractantes en phase organique: consequences sur les proprietes extractantes

    Energy Technology Data Exchange (ETDEWEB)

    Meridiano, Y. [Paris-11 Univ., 91 - Orsay (France)]|[CEA Valrho, Lab de Chimie des Systemes Extractants (LCSE), 30 - Marcoule (France)

    2006-07-01

    The aim of this work is to establish a correlation between the organization of extracting molecules in organic phase and the implemented chemical equilibria. The first experimental data will be carried out on the chemical system of the DIAMEX process: DMDOHEMA/n-dodecane/HNO{sub 3}/H{sub 2}O/rare earth or actinide nitrate. Extraction isotherms will established in making the diamide concentration, the solute concentration, the acidity of the aqueous phase and the temperature vary. The different constituents will be titrated in organic and aqueous phases after extraction allowing thus to write an extraction equilibrium for each of the systems and to determine the bound constants. Then, a structural characterization of the organic phases will be considered in order to correlate the different organizations to the extraction constants, through several techniques as the surface tension measurements, the vapor pressure osmometry and the neutrons and X-rays small angle scattering which allow to characterize the size and geometry of the extractant aggregates as well as the interactions between them. (O.M.)

  10. Varying constants, Gravitation and Cosmology

    CERN Document Server

    Uzan, Jean-Philippe

    2010-01-01

    Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. It is thus of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We thus detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, Solar system observations, meteorites dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describ...

  11. Ruzsa's Constant on Additive Functions

    Institute of Scientific and Technical Information of China (English)

    Jin Hui FANG; Yong Gao CHEN

    2013-01-01

    A function f:N → R is called additive if f(mn) =f(m)+f(n) for all m,n with (m,n) =1.Let μ(x) =maxn≤x(f(n)-f(n + 1)) and v(x) =maxn≤x(f(n + 1)-f(n)).In 1979,Ruzsa proved that there exists a constant c such that for any additive function f,μ(x) ≤ cv(x2) + cf,where cf is a constant depending only on f.Denote by Raf the least such constant c.We call Raf Ruzsa's constant on additive functions.In this paper,we prove that Raf ≤ 20.

  12. Naturally Time Dependent Cosmological Constant

    CERN Document Server

    Gregori, A

    2004-01-01

    In the light of the proposal of hep-th/0207195, we discuss in detail the issue of the cosmological constant, explaining how can string theory naturally predict the value which is experimentally observed, without low-energy supersymmetry.

  13. Mesoscopic non-equilibrium thermodynamics

    Directory of Open Access Journals (Sweden)

    Rubi, Jose' Miguel

    2008-02-01

    Full Text Available Basic concepts like energy, heat, and temperature have acquired a precise meaning after the development of thermodynamics. Thermodynamics provides the basis for understanding how heat and work are related and with the general rules that the macroscopic properties of systems at equilibrium follow. Outside equilibrium and away from macroscopic regimes most of those rules cannot be applied directly. In this paper we present recent developments that extend the applicability of thermodynamic concepts deep into mesoscopic and irreversible regimes. We show how the probabilistic interpretation of thermodynamics together with probability conservation laws can be used to obtain kinetic equations describing the evolution of the relevant degrees of freedom. This approach provides a systematic method to obtain the stochastic dynamics of a system directly from the knowledge of its equilibrium properties. A wide variety of situations can be studied in this way, including many that were thought to be out of reach of thermodynamic theories, such as non-linear transport in the presence of potential barriers, activated processes, slow relaxation phenomena, and basic processes in biomolecules, like translocation and stretching.

  14. Local equilibrium in bird flocks

    Science.gov (United States)

    Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene

    2016-12-01

    The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.

  15. Equilibrium Studies on Liquid-Liquid Reactive Extraction of Phenylsuccinic Acid Enantiomers Using Hydrophilicβ-CD Derivatives Extractants%水溶性β-环糊精反应萃取分离苯基琥珀酸对映体的平衡研究

    Institute of Scientific and Technical Information of China (English)

    唐课文; 苗家兵; 周涛; 刘永兵

    2011-01-01

    This paper deals with the enantioseparation of phenylsuccinic acid (H2A) enantiomers by liquid-liquid reactive extraction using β-CD derivatives as aqueous selectors. Cyclodextrin and its derivatives can interact with guest molecules selectively to form complexes with different stabilities. Cyclodextrin derivatives are not soluble in organic liquids, but highly soluble in water. In this work, hydroxypropyl-β-cyclodextrin (HP-β-CD), hydroxyethylβ-cyclodextrin (HE-β-CD) and methyl-β-cyclodextrin (Me-β-CD) were selected as chiral selectors in aqueous phase for the reactive extraction of phenylsuccinic acid enantiomers from organic phase to aqueous phase. The results show that the efficiency of the extraction depends, often strongly, on a number of process variables, including the types of organic solvents and β-CD derivatives, the concentrations of the extractants and H2A enantiomers, pH and temperature. HP-β-CD, HE-β-CD and Me-β-CD have stronger recognition abilities for R-phenylsuccinic acid than for S-phenylsuccinic acid. Among the three kinds ofβ-CD derivatives, HP-β-CD has the strongest separation ability.Excellent enantioseparation was achieved under the optimal conditions of pH of 2.5 and temperature of 5℃ with a maximum enantioselectivity (a) of 2.38. Reactive extraction of enantiomers with hydrophilic β-CD derivatives is of strong chiral separation ability and can be hopeful for separations of various enantiomers at a large-scale.

  16. Inflation and the cosmological constant

    Directory of Open Access Journals (Sweden)

    FENG Chaojun

    2014-08-01

    Full Text Available By assuming the cosmological “constant” is no longer a constant during the inflation epoch,it is found that the cosmological constant fine-tuning problem is solved.In the meanwhile,inflation models could predict a large tensor-to-scalar ratio,correct power spectral index and a larger running of it.Furthermore,the e-folding number is large enough to overcome the horizon,flatness problems in the Big Bang cosmology.

  17. Non-equilibrium dynamics of gene expression and the Jarzynski equality

    OpenAIRE

    Berg, Johannes

    2007-01-01

    In order to express specific genes at the right time, the transcription of genes is regulated by the presence and absence of transcription factor molecules. With transcription factor concentrations undergoing constant changes, gene transcription takes place out of equilibrium. In this paper we discuss a simple mapping between dynamic models of gene expression and stochastic systems driven out of equilibrium. Using this mapping, results of nonequilibrium statistical mechanics such as the Jarzy...

  18. Varying Constants, Gravitation and Cosmology

    Directory of Open Access Journals (Sweden)

    Jean-Philippe Uzan

    2011-03-01

    Full Text Available Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  19. Varying Constants, Gravitation and Cosmology.

    Science.gov (United States)

    Uzan, Jean-Philippe

    2011-01-01

    Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  20. Varying Constants, Gravitation and Cosmology

    Science.gov (United States)

    Uzan, Jean-Philippe

    2011-12-01

    Fundamental constants are a cornerstone of our physical laws. Any constant varying in space and/or time would reflect the existence of an almost massless field that couples to matter. This will induce a violation of the universality of free fall. Thus, it is of utmost importance for our understanding of gravity and of the domain of validity of general relativity to test for their constancy. We detail the relations between the constants, the tests of the local position invariance and of the universality of free fall. We then review the main experimental and observational constraints that have been obtained from atomic clocks, the Oklo phenomenon, solar system observations, meteorite dating, quasar absorption spectra, stellar physics, pulsar timing, the cosmic microwave background and big bang nucleosynthesis. At each step we describe the basics of each system, its dependence with respect to the constants, the known systematic effects and the most recent constraints that have been obtained. We then describe the main theoretical frameworks in which the low-energy constants may actually be varying and we focus on the unification mechanisms and the relations between the variation of different constants. To finish, we discuss the more speculative possibility of understanding their numerical values and the apparent fine-tuning that they confront us with.

  1. Analysis of Equilibrium and Kinetics of Chromium-Fluoride Complexation from Spectroscopic Data via Chemometrics Methods

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The complexation of Cr3+ with F- undergoes a multistep reversible process. An approach to research the involved equilibria and kinetics using suitable chemometrics methods to the online measured UV-Vis spectra is proposed. By investigating the equilibrium spectra of the complexes at different molar ratios of M to L(metal to ligand) and 50 ℃, the result of Principal Component Analysis(PCA) shows that three complexes, ML, ML2 and ML3, can be formed under the research conditions. The spectrum of each complex was then analyzed and the accumulated equilibrium constants were calculated by applying Target Testing Factor Analysis(TTFA). Meanwhile, a reactive intermediate was observed before the formation of MLx during the specific kinetic study at 15 ℃. The equilibrium constant and spectrum of the intermediate as well as the rate constants were all resolved by using TTFA.

  2. Stable Equilibrium Based on Lévy Statistics:A Linear Boltzmann Equation Approach

    Science.gov (United States)

    Barkai, Eli

    2004-06-01

    To obtain further insight on possible power law generalizations of Boltzmann equilibrium concepts, we consider stochastic collision models. The models are a generalization of the Rayleigh collision model, for a heavy one dimensional particle M interacting with ideal gas particles with a mass mlaw equilibrium. We show, under certain conditions, that the velocity distribution function of the heavy particle is Lévy stable, the Maxwellian distribution being a special case. We demonstrate our results with numerical examples. The relation of the power law equilibrium obtained here to thermodynamics is discussed. In particular we compare between two models: a thermodynamic and an energy scaling approaches. These models yield insight into questions like the meaning of temperature for power law equilibrium, and into the issue of the universality of the equilibrium (i.e., is the width of the generalized Maxwellian distribution functions obtained here, independent of coupling constant to the bath).

  3. On static equilibrium and balance puzzler

    CERN Document Server

    Dey, Samrat; Saikia, Dipankar; Kalita, Deepjyoti; Debbarma, Anamika; Wahab, Shaheen Akhtar; Sarma, Saurabh

    2012-01-01

    The principles of static equilibrium are of special interest to civil engineers. For a rigid body to be in static equilibrium the condition is that net force and net torque acting on the body should be zero. That clearly signifies that if equal weights are placed on either sides of a balance, the balance should be in equilibrium, even if its beam is not horizontal (we have considered the beam to be straight and have no thickness, an ideal case). Thus, although the weights are equal, they will appear different which is puzzling. This also shows that the concept of equilibrium is confusing, especially neutral equilibrium is confused to be stable equilibrium. The study not only throws more light on the concept of static equilibrium, but also clarifies that a structure need not be firm and steady even if it is in static equilibrium.

  4. Equilibrium thermodynamics - Callen’s postulational approach

    NARCIS (Netherlands)

    Jongschaap, Robert J.J.; Öttinger, Hans Christian

    2001-01-01

    In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates

  5. Resonant behaviour of MHD waves on magnetic flux tubes. III - Effect of equilibrium flow

    Science.gov (United States)

    Goossens, Marcel; Hollweg, Joseph V.; Sakurai, Takashi

    1992-01-01

    The Hollweg et al. (1990) analysis of MHD surface waves in a stationary equilibrium is extended. The conservation laws and jump conditions at Alfven and slow resonance points obtained by Sakurai et al. (1990) are generalized to include an equilibrium flow, and the assumption that the Eulerian perturbation of total pressure is constant is recovered as the special case of the conservation law for an equilibrium with straight magnetic field lines and flow along the magnetic field lines. It is shown that the conclusions formulated by Hollweg et al. are still valid for the straight cylindrical case. The effect of curvature is examined.

  6. Out-of-equilibrium dynamics of gene expression and the Jarzynski equality.

    Science.gov (United States)

    Berg, Johannes

    2008-05-09

    In order to express specific genes at the right time, the transcription of genes is regulated by the presence and absence of transcription factor molecules. With transcription factor concentrations undergoing constant changes, gene transcription takes place out of equilibrium. In this Letter we discuss a simple mapping between dynamic models of gene expression and stochastic systems driven out of equilibrium. Using this mapping, results of out-of-equilibrium statistical mechanics such as the Jarzynski equality and the fluctuation theorem are demonstrated for gene expression dynamics. Applications of this approach include the determination of regulatory interactions between genes from experimental gene expression data.

  7. Learning Read-constant Polynomials of Constant Degree modulo Composites

    DEFF Research Database (Denmark)

    Chattopadhyay, Arkadev; Gavaldá, Richard; Hansen, Kristoffer Arnsfelt;

    2011-01-01

    Boolean functions that have constant degree polynomial representation over a fixed finite ring form a natural and strict subclass of the complexity class \\textACC0ACC0. They are also precisely the functions computable efficiently by programs over fixed and finite nilpotent groups. This class...... is not known to be learnable in any reasonable learning model. In this paper, we provide a deterministic polynomial time algorithm for learning Boolean functions represented by polynomials of constant degree over arbitrary finite rings from membership queries, with the additional constraint that each variable...

  8. Effective cosmological constant induced by stochastic fluctuations of Newton's constant

    Science.gov (United States)

    de Cesare, Marco; Lizzi, Fedele; Sakellariadou, Mairi

    2016-09-01

    We consider implications of the microscopic dynamics of spacetime for the evolution of cosmological models. We argue that quantum geometry effects may lead to stochastic fluctuations of the gravitational constant, which is thus considered as a macroscopic effective dynamical quantity. Consistency with Riemannian geometry entails the presence of a time-dependent dark energy term in the modified field equations, which can be expressed in terms of the dynamical gravitational constant. We suggest that the late-time accelerated expansion of the Universe may be ascribed to quantum fluctuations in the geometry of spacetime rather than the vacuum energy from the matter sector.

  9. Effective cosmological constant induced by stochastic fluctuations of Newton's constant

    CERN Document Server

    de Cesare, Marco; Sakellariadou, Mairi

    2016-01-01

    We consider implications of the microscopic dynamics of spacetime for the evolution of cosmological models. We argue that quantum geometry effects may lead to stochastic fluctuations of the gravitational constant, which is thus considered as a macroscopic effective dynamical quantity. Consistency with Riemannian geometry entails the presence of a time-dependent dark energy term in the modified field equations, which can be expressed in terms of the dynamical gravitational constant. We suggest that the late-time accelerated expansion of the Universe may be ascribed to quantum fluctuations in the geometry of spacetime rather than the vacuum energy from the matter sector.

  10. The geometry of finite equilibrium sets

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    2009-01-01

    We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...... of equilibrium datasets is pathconnected when the equilibrium condition does impose restrictions on datasets, as for example when total resources are widely noncollinear....

  11. Open problems in non-equilibrium physics

    Energy Technology Data Exchange (ETDEWEB)

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  12. The concept of equilibrium in organization theory

    NARCIS (Netherlands)

    Gazendam, Henk W.M.

    1997-01-01

    Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or

  13. The concept of equilibrium in organization theory

    NARCIS (Netherlands)

    Gazendam, Henk W.M.

    1998-01-01

    Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or

  14. Determination of plasma protein binding rate both in Polygonum orientale L.extract and compound Hongcao freeze-dried powder for injection by equilibrium dialysis%平衡透析法研究荭草及其制剂的人血浆蛋白结合率

    Institute of Scientific and Technical Information of China (English)

    黄勇; 陈慧; 何峰; 张治蓉; 王永林

    2012-01-01

    OBJECTIVE To determine and compare the plasma protein binding rate of two kinds of compounds in the extraction of Polygonum orientate and compound Hongcao freeze-dned powder for injection by equilibrium dialysis method. METHODS Equilibrium dialysis method combined with liquid chromatography-tandem mass spectrometry (UPLC-ESI-MS/MS) was employed to determine the protein binding rate of protocatechuic acid, isoorientin with human plasma protein both in the extrac- tion of Polygonum orientate and compound Hongcao freeze-dried powder and the binding characteristics were also calculated. RESULTS The results showed medium binding power of protocatechuic acid and high binding power of isoorientin to plasma protein, the powers of the two compounds with the plasma protein were independent on the area of the concentration which was determinate. In the compound Hongcao freeze-dried powder, the related binding characteristics of isoorientin had somewhat increase; and compared with the extraction of Polygonum orientate , there was also some difference. CONCLUSION The protein binding rates of the compounds in the Polygonum orientate were independent on the area of the concentration which was determinate, but there was some change when the herb was composed to compound preparation.%目的:比较荭草提取物及其复方制剂中两类成分的人血浆蛋白结合率.方法:以超高效液相色谱—质谱联用为检测手段,结合平衡透析法考察单味荭草提取物及注射用复方荭草在人血浆中的蛋白结合率并计算相关参数.结果:在所研究浓度范围内,原儿茶酸与血浆蛋白具有中等强度结合,异荭草素与血浆蛋白结合力较强.经统计分析,两者与血浆蛋白的结合能力在考察浓度范围无显著差异;其中异荭草素指标在复方中的血浆蛋白结合率有所升高,复方中其他的血浆蛋白结合动力学参数相对单味荭草也有一定变化.结论:荭草中化学成分的血浆蛋白结合

  15. First-principles study of the elastic constants and optical properties of uranium metal

    Institute of Scientific and Technical Information of China (English)

    Chen Qiu-Yun; Tan Shi-Yong; Lai Xin-Chun; Chen Jun

    2012-01-01

    We perform first-principles calculations of the lattice constants,elastic constants,and optical properties for alphaand gamma-uranium based on the ultra-soft pseudopotential method.Lattice constants and equilibrium atomic volume are consistent pretty well with the experimental results.Some difference exists between our calculated elastic constants and the experimental data.Based on the satisfactory ground state electronic structure calculations,the optical conductivity,dielectric function,refractive index,and extinction coefficients are also obtained.These calculated optical properties are compared with our results and other published experimental data.

  16. Equilibrium figures of dwarf planets

    Science.gov (United States)

    Rambaux, Nicolas; Chambat, Frederic; Castillo-Rogez, Julie; Baguet, Daniel

    2016-10-01

    Dwarf planets including transneptunian objects (TNO) and Ceres are >500 km large and display a spheroidal shape. These protoplanets are left over from the formation of the solar System about 4.6 billion years ago and their study could improve our knowledge of the early solar system. They could be formed in-situ or migrated to their current positions as a consequence of large-scale solar system dynamical evolution. Quantifying their internal composition would bring constraints on their accretion environment and migration history. That information may be inferred from studying their global shapes from stellar occultations or thermal infrared imaging. Here we model the equilibrium shapes of isolated dwarf planets under the assumption of hydrostatic equilibrium that forms the basis for interpreting shape data in terms of interior structure. Deviations from hydrostaticity can shed light on the thermal and geophysical history of the bodies. The dwarf planets are generally fast rotators spinning in few hours, so their shape modeling requires numerically integration with Clairaut's equations of rotational equilibrium expanded up to third order in a small parameter m, the geodetic parameter, to reach an accuracy better than a few kilometers depending on the spin velocity and mean density. We also show that the difference between a 500-km radius homogeneous model described by a MacLaurin ellipsoid and a stratified model assuming silicate and ice layers can reach several kilometers in the long and short axes, which could be measurable. This type of modeling will be instrumental in assessing hydrostaticity and thus detecting large non-hydrostatic contributions in the observed shapes.

  17. Risk premia in general equilibrium

    DEFF Research Database (Denmark)

    Posch, Olaf

    This paper shows that non-linearities can generate time-varying and asymmetric risk premia over the business cycle. These (empirical) key features become relevant and asset market implications improve substantially when we allow for non-normalities in the form of rare disasters. We employ explicit...... solutions of dynamic stochastic general equilibrium models, including a novel solution with endogenous labor supply, to obtain closed-form expressions for the risk premium in production economies. We find that the curvature of the policy functions affects the risk premium through controlling the individual......'s effective risk aversion....

  18. A new equilibrium torus solution and GRMHD initial conditions

    CERN Document Server

    Penna, Robert F; Narayan, Ramesh

    2013-01-01

    General relativistic magnetohydrodynamic (GRMHD) simulations are providing influential models for black hole spin measurements, gamma ray bursts, and supermassive black hole feedback. Many of these simulations use the same initial condition: a rotating torus of fluid in hydrostatic equilibrium. A persistent concern is that simulation results sometimes depend on arbitrary features of the initial torus. For example, the Bernoulli parameter (which is related to outflows), appears to be controlled by the Bernoulli parameter of the initial torus. In this paper, we give a new equilibrium torus solution and describe two applications for the future. First, it can be used as a more physical initial condition for GRMHD simulations than earlier torus solutions. Second, it can be used in conjunction with earlier torus solutions to isolate the simulation results that depend on initial conditions. We assume axisymmetry, an ideal gas equation of state, constant entropy, and ignore self-gravity. We fix an angular momentum di...

  19. From the Rydberg constant to the fundamental constants metrology; De la constante de Rydberg a la metrologie des constantes fondamentales

    Energy Technology Data Exchange (ETDEWEB)

    Nez, F

    2005-06-15

    This document reviews the theoretical and experimental achievements of the author since the beginning of his scientific career. This document is dedicated to the spectroscopy of hydrogen, deuterium and helium atoms. The first part is divided into 6 sub-sections: 1) the principles of hydrogen spectroscopy, 2) the measurement of the 2S-nS/nD transitions, 3) other optical frequency measurements, 4) our contribution to the determination of the Rydberg constant, 5) our current experiment on the 1S-3S transition, 6) the spectroscopy of the muonic hydrogen. Our experiments have improved the accuracy of the Rydberg Constant by a factor 25 in 15 years and we have achieved the first absolute optical frequency measurement of a transition in hydrogen. The second part is dedicated to the measurement of the fine structure constant and the last part deals with helium spectroscopy and the search for optical references in the near infrared range. (A.C.)

  20. Mirror QCD and Cosmological Constant

    CERN Document Server

    Pasechnik, Roman; Teryaev, Oleg

    2016-01-01

    An analog of Quantum Chromo Dynamics (QCD) sector known as mirror QCD (mQCD) can affect the cosmological evolution and help in resolving the Cosmological Constant problem. In this work, we explore an intriguing possibility for a compensation of the negative QCD vacuum contribution to the ground state energy density of the universe by means of a positive contribution from the chromomagnetic gluon condensate in mQCD. The trace anomaly compensation condition and the form of the mQCD coupling constant in the infrared limit have been proposed by analysing a partial non-perturbative solution of the Einstein--Yang-Mills equations of motion.

  1. Spatial Variations of Fundamental Constants

    CERN Document Server

    Barrow, John D; Barrow, John D.; Toole, Chris O'

    1999-01-01

    We show that observational limits on the possible time variation of constants of Nature are significantly affected by allowing for both space and time variation. Bekenstein's generalisation of Maxwell's equations to allow for cosmological variation of $alpha$ is investigated in a universe containing spherically symmetric inhomogeneities. The time variation of $alpha$ is determined by the local matter density and hence limits obtained in high-density geophysical enviroments are far more constraining than those obtained at high redshift. This new feature is expected to be a property of a wide class of theories for the variation of constants.

  2. Bouncing universes with varying constants

    Energy Technology Data Exchange (ETDEWEB)

    Barrow, John D [DAMTP, Centre for Mathematical Sciences, Cambridge University, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Kimberly, Dagny [Theoretical Physics, Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2BZ (United Kingdom); Magueijo, Joao [Theoretical Physics, Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2BZ (United Kingdom)

    2004-09-21

    We investigate the behaviour of exact closed bouncing Friedmann universes in theories with varying constants. We show that the simplest BSBM varying alpha theory leads to a bouncing universe. The value of alpha increases monotonically, remaining approximately constant during most of each cycle, but increasing significantly around each bounce. When dissipation is introduced we show that in each new cycle the universe expands for longer and to a larger size. We find a similar effect for closed bouncing universes in Brans-Dicke theory, where G also varies monotonically in time from cycle to cycle. Similar behaviour occurs also in varying speed of light theories.

  3. Bouncing Universes with Varying Constants

    CERN Document Server

    Barrow, J D; Magueijo, J; Barrow, John D.; Kimberly, Dagny; Magueijo, Joao

    2004-01-01

    We investigate the behaviour of exact closed bouncing Friedmann universes in theories with varying constants. We show that the simplest BSBM varying-alpha theory leads to a bouncing universe. The value of alpha increases monotonically, remaining approximately constant during most of each cycle, but increasing significantly around each bounce. When dissipation is introduced we show that in each new cycle the universe expands for longer and to a larger size. We find a similar effect for closed bouncing universes in Brans-Dicke theory, where $G$ also varies monotonically in time from cycle to cycle. Similar behaviour occurs also in varying speed of light theories.

  4. Gravitational Instantons and Cosmological Constant

    CERN Document Server

    Cyriac, Josily

    2015-01-01

    The cosmological dynamics of an otherwise empty universe in the presence of vacuum fields is considered. Quantum fluctuations at the Planck scale leads to a dynamical topology of space-time at very small length scales, which is dominated by compact gravitational instantons. The Planck scale vacuum energy acts as a source for the curvature of the these compact gravitational instantons and decouples from the large scale energy momentum tensor of the universe, thus making the observable cosmological constant vanish. However, a Euclidean functional integral over all possible topologies of the gravitational instantons generates a small non-zero value for the large scale cosmological constant, which agrees with the present observations.

  5. General relativistic polytropes with a repulsive cosmological constant

    CERN Document Server

    Stuchlík, Zdeněk; Novotný, Jan

    2016-01-01

    Spherically symmetric equilibrium configurations of perfect fluid obeying a polytropic equation of state are studied in spacetimes with a repulsive cosmological constant. The configurations are specified in terms of three parameters---the polytropic index $n$, the ratio of central pressure and central energy density of matter $\\sigma$, and the ratio of energy density of vacuum and central density of matter $\\lambda$. The static equilibrium configurations are determined by two coupled first-order nonlinear differential equations that are solved by numerical methods with the exception of polytropes with $n=0$ corresponding to the configurations with a uniform distribution of energy density, when the solution is given in terms of elementary functions. The geometry of the polytropes is conveniently represented by embedding diagrams of both the ordinary space geometry and the optical reference geometry reflecting some dynamical properties of the geodesic motion. The polytropes are represented by radial profiles of...

  6. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    Science.gov (United States)

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…

  7. Pre-equilibrium plasma dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, U.

    1986-01-01

    Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs. (LEW)

  8. Decay Constants of Vector Mesons

    Institute of Scientific and Technical Information of China (English)

    LI Heng-Mei; WAN Shao-Long

    2008-01-01

    @@ The light vector mesons are studied within the framework of the Bethe-Salpeter equation with the vector-vectortype flat-bottom potential The Bethe-Salpeter wavefunctions and the decay constants of the vector mesons are obtained. All the obtained results, fρ, fφ, and fΚ* , are in agreement with the experimental values, respectively.

  9. The 1% concordance Hubble constant

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, C. L.; Larson, D.; Weiland, J. L. [Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 (United States); Hinshaw, G., E-mail: cbennett@jhu.edu [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC V6T 1Z1 (Canada)

    2014-10-20

    The determination of the Hubble constant has been a central goal in observational astrophysics for nearly a hundred years. Extraordinary progress has occurred in recent years on two fronts: the cosmic distance ladder measurements at low redshift and cosmic microwave background (CMB) measurements at high redshift. The CMB is used to predict the current expansion rate through a best-fit cosmological model. Complementary progress has been made with baryon acoustic oscillation (BAO) measurements at relatively low redshifts. While BAO data do not independently determine a Hubble constant, they are important for constraints on possible solutions and checks on cosmic consistency. A precise determination of the Hubble constant is of great value, but it is more important to compare the high and low redshift measurements to test our cosmological model. Significant tension would suggest either uncertainties not accounted for in the experimental estimates or the discovery of new physics beyond the standard model of cosmology. In this paper we examine in detail the tension between the CMB, BAO, and cosmic distance ladder data sets. We find that these measurements are consistent within reasonable statistical expectations and we combine them to determine a best-fit Hubble constant of 69.6 ± 0.7 km s{sup –1} Mpc{sup –1}. This value is based upon WMAP9+SPT+ACT+6dFGS+BOSS/DR11+H {sub 0}/Riess; we explore alternate data combinations in the text. The combined data constrain the Hubble constant to 1%, with no compelling evidence for new physics.

  10. Variation of fundamental constants: theory

    Science.gov (United States)

    Flambaum, Victor

    2008-05-01

    Theories unifying gravity with other interactions suggest temporal and spatial variation of the fundamental ``constants'' in expanding Universe. There are some hints for the variation of different fundamental constants in quasar absorption spectra and Big Bang nucleosynthesis data. A large number of publications (including atomic clocks) report limits on the variations. We want to study the variation of the main dimensionless parameters of the Standard Model: 1. Fine structure constant alpha (combination of speed of light, electron charge and Plank constant). 2. Ratio of the strong interaction scale (LambdaQCD) to a fundamental mass like electron mass or quark mass which are proportional to Higgs vacuum expectation value. The proton mass is propotional to LambdaQCD, therefore, the proton-to-electron mass ratio comes into this second category. We performed necessary atomic, nuclear and QCD calculations needed to study variation of the fundamental constants using the Big Bang Nucleosynthsis, quasar spectra, Oklo natural nuclear reactor and atomic clock data. The relative effects of the variation may be enhanced in transitions between narrow close levels in atoms, molecules and nuclei. If one will study an enhanced effect, the relative value of systematic effects (which are not enhanced) may be much smaller. Note also that the absolute magnitude of the variation effects in nuclei (e.g. in very narrow 7 eV transition in 229Th) may be 5 orders of magnitude larger than in atoms. A different possibility of enhancement comes from the inversion transitions in molecules where splitting between the levels is due to the quantum tunneling amplitude which has strong, exponential dependence on the electron to proton mass ratio. Our study of NH3 quasar spectra has already given the best limit on the variation of electron to proton mass ratio.

  11. Varying Fine-Structure Constant and the Cosmological Constant Problem

    CERN Document Server

    Fujii, Y

    2003-01-01

    We start with a brief account of the latest analysis of the Oklo phenomenon providing the still most stringent constraint on time-variability of the fine- structure constant $\\alpha$. Comparing this with the recent result from the measurement of distant QSO's appears to indicate a non-uniform time-dependence, which we argue to be related to another recent finding of the accelerating universe. This view is implemented in terms of the scalar-tensor theory, applied specifically to the small but nonzero cosmological constant. Our detailed calculation shows that these two phenomena can be understood in terms of a common origin, a particular behavior of the scalar field, dilaton. We also sketch how this theoretical approach makes it appropriate to revisit non- Newtonian gravity featuring small violation of Weak Equivalence Principle at medium distances.

  12. Varying Fine-Structure Constant and the Cosmological Constant Problem

    Science.gov (United States)

    Fujii, Yasunori

    We start with a brief account of the latest analysis of the Oklo phenomenon providing the still most stringent constraint on time variability of the fine-structure constant α. Comparing this with the recent result from the measurement of distant QSO's appears to indicate a non-uniform time-dependence, which we argue to be related to another recent finding of the accelerating universe. This view is implemented in terms of the scalar-tensor theory, applied specifically to the small but nonzero cosmological constant. Our detailed calculation shows that these two phenomena can be understood in terms of a common origin, a particular behavior of the scalar field, dilaton. We also sketch how this theoretical approach makes it appropriate to revisit non-Newtonian gravity featuring small violation of Weak Equivalence Principle at medium distances.

  13. Equilibrium Speciation of Select Lanthanides in the Presence of Acidic Ligands in Homo- and Heterogeneous Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Troy A [Univ. of Nevada, Las Vegas, NV (United States)

    2011-08-01

    This dissertation explores lanthanide speciation in liquid solution systems related to separation schemes involving the acidic ligands: bis(2-ethylhexyl) phosphoric acid (HDEHP), lactate, and 8-hydroxyquinoline. Equilibrium speciation of neodymium (Nd3+), sodium (Na+), HDEHP, water, and lactate in the TALSPEAK liquid-liquid extraction system was explored under varied Nd3+ loading of HDEHP in the organic phase and through extraction from aqueous HCl and lactate media. System speciation was probed through vapor pressure osmometry, visible and Fourier Transform Infrared (FTIR) spectroscopy, 22Na and 13C labeled lactate radiotracer distribution measurements, Karl Fischer titrations, and equilibrium pH measurements. Distribution of Nd3+, Na+, lactate, and equilibrium pH were modeled using the SXLSQI software to obtain logKNd and logKNa extraction constants under selected conditions. Results showed that high Nd3+ loading of the HDEHP led to Nd3+ speciation that departs from the ion exchange mechanism and includes formation of highly aggregated, polynuclear [NdLactate(DEHP)2]x; (with x > 1). By substituting lanthanum (La3+) for Nd3+ in this system, NMR scoping experiments using 23Na, 31P nuclei and 13C labeled lactate were performed. Results indicated that this technique is sensitive to changes in system speciation, and that further experiments are warranted. In a homogeneous system representing the TALSPEAK aqueous phase, Lactate protonation behavior at various temperatures was characterized using a combination of potentiometric titration and modeling with the Hyperquad computer program. The temperature dependent deprotonation behavior of lactate showed little change with temperature at 2.0 M NaCl ionic strength. Cloud point extraction is a non-traditional separation technique that starts with a homogeneous

  14. Stabilized oil production conditions in the development equilibrium of a water-flooding reservoir

    Directory of Open Access Journals (Sweden)

    Renshi Nie

    2016-12-01

    Full Text Available Water injection can compensate for pressure depletion of production. This paper firstly investigated into the equilibrium issue among water influx, water injection and production. Equilibrium principle was elaborated through deduction of equilibrium equation and presentation of equilibrium curves with an “equilibrium point”. Influences of artificial controllable factors (e.g. well ratio of injection to production and total well number on equilibrium were particularly analyzed using field data. It was found that the influences were mainly reflected as the location move of equilibrium point with factor change. Then reservoir pressure maintenance level was especially introduced to reveal the variation law of liquid rate and oil rate with the rising of water cut. It was also found that, even if reservoir pressure kept constant, oil rate still inevitably declined. However, in the field, a stabilized oil rate was always pursued for development efficiency. Therefore, the equilibrium issue of stabilized oil production was studied deeply through probing into some effective measures to realize oil rate stability after the increase of water cut for the example reservoir. Successful example application indicated that the integrated approach was very practical and feasible, and hence could be used to the other similar reservoir.

  15. Phase equilibrium measurements and modelling for separation process design

    Energy Technology Data Exchange (ETDEWEB)

    Dell' Era, C.

    2012-07-01

    the thermodynamic representation of the equilibrium between phases. For this purpose an extensive experimental work was performed, comprising of vapour-liquid, gas-liquid and solid-liquid equilibrium measurements. Vapour liquid equilibrium of binary mixtures of butane + alcohols was measured with a static total pressure apparatus due to the importance of hydrocarbon and alcohol mixtures in the production of biofuels. The same equipment was used to measure binary systems of diethyl sulphide + C4 - hydrocarbons of importance in refinery applications. The activity coefficients of these systems were modelled with activity coefficients models. The absorption of carbon dioxide in alkanolamine solutions is the leading technology for the removal of carbon dioxide during refining of gas and oil. In recent years, this technology has gained importance also for carbon capture from large point sources. The scarcity of experimental data for some alkanolamine systems affected the accuracy of thermodynamic models. Several experimental techniques were developed to supply new experimental data for aqueous solutions of diisopropanolamine (DIPA) and methyldiethanolamine (MDEA). The solubility of carbon dioxide in solutions of these amines was measured with a static total pressure apparatus for gas solubility, and with a bubbling apparatus. The density of carbonated aqueous DIPA was also measured and modelled. The vapour-liquid equilibrium of water + DIPA and water + MDEA was measured with a static total pressure apparatus. The solid-liquid equilibrium of the same systems was measured with a visual method and a Differential Scanning Calorimeter. The activity coefficients of aqueous DIPA and MDEA solutions were modelled using NRTL, thus providing the first model of this sort for DIPA. A new model of the Henry's law constant of carbon dioxide in binary and ternary aqueous solutions of alkanolamines was developed at temperatures up to 393 K. (orig.)

  16. New Quasar Studies Keep Fundamental Physical Constant Constant

    Science.gov (United States)

    2004-03-01

    Very Large Telescope sets stringent limit on possible variation of the fine-structure constant over cosmological time Summary Detecting or constraining the possible time variations of fundamental physical constants is an important step toward a complete understanding of basic physics and hence the world in which we live. A step in which astrophysics proves most useful. Previous astronomical measurements of the fine structure constant - the dimensionless number that determines the strength of interactions between charged particles and electromagnetic fields - suggested that this particular constant is increasing very slightly with time. If confirmed, this would have very profound implications for our understanding of fundamental physics. New studies, conducted using the UVES spectrograph on Kueyen, one of the 8.2-m telescopes of ESO's Very Large Telescope array at Paranal (Chile), secured new data with unprecedented quality. These data, combined with a very careful analysis, have provided the strongest astronomical constraints to date on the possible variation of the fine structure constant. They show that, contrary to previous claims, no evidence exist for assuming a time variation of this fundamental constant. PR Photo 07/04: Relative Changes with Redshift of the Fine Structure Constant (VLT/UVES) A fine constant To explain the Universe and to represent it mathematically, scientists rely on so-called fundamental constants or fixed numbers. The fundamental laws of physics, as we presently understand them, depend on about 25 such constants. Well-known examples are the gravitational constant, which defines the strength of the force acting between two bodies, such as the Earth and the Moon, and the speed of light. One of these constants is the so-called "fine structure constant", alpha = 1/137.03599958, a combination of electrical charge of the electron, the Planck constant and the speed of light. The fine structure constant describes how electromagnetic forces hold

  17. Constant-bandwidth constant-temperature hot-wire anemometer.

    Science.gov (United States)

    Ligeza, P

    2007-07-01

    A constant-temperature anemometer (CTA) enables the measurement of fast-changing velocity fluctuations. In the classical solution of CTA, the transmission band is a function of flow velocity. This is a minor drawback when the mean flow velocity does not significantly change, though it might lead to dynamic errors when flow velocity varies over a considerable range. A modification is outlined, whereby an adaptive controller is incorporated in the CTA system such that the anemometer's transmission band remains constant in the function of flow velocity. For that purpose, a second feedback loop is provided, and the output signal from the anemometer will regulate the controller's parameters such that the transmission bandwidth remains constant. The mathematical model of a CTA that has been developed and model testing data allow a through evaluation of the proposed solution. A modified anemometer can be used in measurements of high-frequency variable flows in a wide range of velocities. The proposed modification allows the minimization of dynamic measurement errors.

  18. BOOK REVIEW: Relativistic Figures of Equilibrium

    Science.gov (United States)

    Mars, M.

    2009-08-01

    qualitatively different behaviours. The presentation of the main ideas behind this method is very clear and accessible even to the non-expert. The book then is devoted to presenting both qualitative and quantitative results for a number of models with different equations of state. The case treated more in depth is the constant density case, but results for polytropic equations of state as well as a degenerate ideal gas of neutrons and strange quark matter are also presented. The emphasis is put on the exploration of the parameter space for a fixed equation of state. This is done by studying the various limiting cases involved, namely the non-rotating limit, the Newtonian limit, the mass-shedding limit, the infinite central pressure limit, the transition from one rotating body to several bodies, the black hole limit and the disc limit. The emerging picture in the constant density case is a division of the parameter space into an infinite number of classes, all connected through the Maclaurin spheroids and approaching the limiting case of a Maclaurin disc of dust, which in turn is the Newtonian limit of the relativistic disc of dust. Although the phase space of solutions differs for other equations of state, the main feature of having classes of solutions remains. Despite the inherent complexity and variety of possible behaviours, the authors manage to describe the results in a very lucid manner, and the resulting picture emerges very clearly. The presentation also includes many well-chosen figures, which clarify greatly the understanding of the results and makes this chapter very informative indeed. Furthermore, the book has a related webpage (http://www.tpi.uni-jena.de/gravity/relastro/rfe/) where the source codes for calculating various figures of equilibrium are publicly available. Besides considering single fluids, configurations where a central and very compact object is surrounded by a ring of fluid are also treated to some extent. The central object may be a Newtonian

  19. Charge regulation of weak polyelectrolytes at low- and high-dielectric-constant substrates

    CERN Document Server

    Netz, R R

    2003-01-01

    As is well known, the effective charge of weak polyelectrolytes (PEs) decreases with decreasing salt concentration due to the electrostatic repulsion between dissociated charges. Close to dielectric boundaries, image-charge effects influence the dissociation equilibrium. At low-dielectric-constant substrates, one finds a further charge decrease and repulsion from the interface, while at high-dielectric-constant (e.g. metallic) substrates, the effective charge increases and the PE is attracted to the interface.

  20. Team equilibrium and innovation performance

    OpenAIRE

    Ferruzca, Marco; Monguet Fierro, José María; Trejo Omeñaca, Alejandro

    2013-01-01

    2013 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works Today competition has increased between organizations and they are urged to improve constantly their performance ...

  1. Equilibrium calculations of firework mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L. [Sandia National Labs., Albuquerque, NM (United States); Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro [National Inst. of Materials and Chemical Research, Tsukuba, Ibaraki (Japan)

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  2. Equilibrium Analysis in Cake Cutting

    DEFF Research Database (Denmark)

    Branzei, Simina; Miltersen, Peter Bro

    2013-01-01

    Cake cutting is a fundamental model in fair division; it represents the problem of fairly allocating a heterogeneous divisible good among agents with different preferences. The central criteria of fairness are proportionality and envy-freeness, and many of the existing protocols are designed...... to guarantee proportional or envy-free allocations, when the participating agents follow the protocol. However, typically, all agents following the protocol is not guaranteed to result in a Nash equilibrium. In this paper, we initiate the study of equilibria of classical cake cutting protocols. We consider one...... of the simplest and most elegant continuous algorithms -- the Dubins-Spanier procedure, which guarantees a proportional allocation of the cake -- and study its equilibria when the agents use simple threshold strategies. We show that given a cake cutting instance with strictly positive value density functions...

  3. Neoclassical equilibrium in gyrokinetic simulations

    Science.gov (United States)

    Garbet, X.; Dif-Pradalier, G.; Nguyen, C.; Sarazin, Y.; Grandgirard, V.; Ghendrih, Ph.

    2009-06-01

    This paper presents a set of model collision operators, which reproduce the neoclassical equilibrium and comply with the constraints of a full-f global gyrokinetic code. The assessment of these operators is based on an entropy variational principle, which allows one to perform a fast calculation of the neoclassical diffusivity and poloidal velocity. It is shown that the force balance equation is recovered at lowest order in the expansion parameter, the normalized gyroradius, hence allowing one to calculate correctly the radial electric field. Also, the conventional neoclassical transport and the poloidal velocity are reproduced in the plateau and banana regimes. The advantages and drawbacks of the various model operators are discussed in view of the requirements for neoclassical and turbulent transport.

  4. Local non-equilibrium thermodynamics.

    Science.gov (United States)

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-16

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation.

  5. Ringed accretion disks: equilibrium configurations

    CERN Document Server

    Pugliese, D

    2015-01-01

    We investigate a model of ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the General Relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can be then determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We pr...

  6. Equilibrium and thermodynamic parameters for heterogeneous esterification of butyric acid with methanol under microwave irradiation

    Directory of Open Access Journals (Sweden)

    P.N. Dange

    2017-03-01

    Full Text Available Synthesis of methyl butyrate was investigated in a microwave irradiated batch reactor in presence of acid ion-exchange resin catalyst, amberlyst-15. Methyl ester was heterogeneously produced by the reaction between butyric acid and methanol. Effect of reaction parameters of temperature (323–343 K, catalyst loading (0–10.5% w/w, alcohol to acid ratio, M (1–5, and amount of molecular sieves added (0–13.5% w/w on conversion were studied. Equilibrium conversion of 92.6% was achieved in 60 minutes under microwave irradiation. Equilibrium constants at varied temperatures and dependency of equilibrium constant on temperature were studied. Equilibrium constant and equilibrium conversion showed increase with the increase in temperature as expected as per le-Chatelier principle. Van't Hoff plot for esterification of butyric acid was linear with negative slope indicating that reaction was endothermic. Comparative study showed that microwave irradiated method for methyl butyrate synthesis to be very efficient and fast compared with conventional and ultrasound assisted routes under optimized reaction conditions.

  7. Three pion nucleon coupling constants

    CERN Document Server

    Arriola, E Ruiz; Perez, R Navarro

    2016-01-01

    There exist four pion nucleon coupling constants, $f_{\\pi^0, pp}$, $-f_{\\pi^0, nn}$, $f_{\\pi^+, pn} /\\sqrt{2}$ and $ f_{\\pi^-, np} /\\sqrt{2}$ which coincide when up and down quark masses are identical and the electron charge is zero. While there is no reason why the pion-nucleon-nucleon coupling constants should be identical in the real world, one expects that the small differences might be pinned down from a sufficiently large number of independent and mutually consistent data. Our discussion provides a rationale for our recent determination $$f_p^2 = 0.0759(4) \\, , \\quad f_{0}^2 = 0.079(1) \\,, \\quad f_{c}^2 = 0.0763(6) \\, , $$ based on a partial wave analysis of the $3\\sigma$ self-consistent nucleon-nucleon Granada-2013 database comprising 6713 published data in the period 1950-2013.

  8. Time-Varying Fundamental Constants

    Science.gov (United States)

    Olive, Keith

    2003-04-01

    Recent data from quasar absorption systems can be interpreted as arising from a time variation in the fine-structure constant. However, there are numerous cosmological, astro-physical, and terrestrial bounds on any such variation. These includes bounds from Big Bang Nucleosynthesis (from the ^4He abundance), the Oklo reactor (from the resonant neutron capture cross-section of Sm), and from meteoretic lifetimes of heavy radioactive isotopes. The bounds on the variation of the fine-structure constant are significantly strengthened in models where all gauge and Yukawa couplings vary in a dependent manner, as would be expected in unified theories. Models which are consistent with all data are severly challenged when Equivalence Principle constraints are imposed.

  9. Comment on "General equilibrium shape equations of polymer chains".

    Science.gov (United States)

    Thamwattana, Ngamta; Hill, James M

    2008-07-01

    In this Comment, we point out that the Euler-Lagrange equations, which are referred to as the general equilibrium shape equations presented by Zhang et al. [Phys. Rev. E 70, 051902 (2004)] are incorrect, along with equations derived from them. The correct equations are provided here and they are cross-checked using certain energy functions previously presented in the literature. Further, with the use of the correct equations, we present new numerical results, which for the values of the constants given by Zhang et al. do not give rise to the physical behavior observed for DNA by those authors. However, the correct equations can be consistent with sensible behavior for different values of the constants.

  10. A theoretical analysis of local thermal equilibrium in fibrous materials

    Directory of Open Access Journals (Sweden)

    Tian Mingwei

    2015-01-01

    Full Text Available The internal heat exchange between each phase and the Local Thermal Equilibrium (LTE scenarios in multi-phase fibrous materials are considered in this paper. Based on the two-phase heat transfer model, a criterion is proposed to evaluate the LTE condition, using derived characteristic parameters. Furthermore, the LTE situations in isothermal/adiabatic boundary cases with two different heat sources (constant heat flux and constant temperature are assessed as special transient cases to test the proposed criterion system, and the influence of such different cases on their LTE status are elucidated. In addition, it is demonstrated that even the convective boundary problems can be generally estimated using this approach. Finally, effects on LTE of the material properties (thermal conductivity, volumetric heat capacity of each phase, sample porosity and pore hydraulic radius are investigated, illustrated and discussed in our study.

  11. Physical Equilibrium Evaluation in Parkinson Disease

    Directory of Open Access Journals (Sweden)

    Schmidt, Paula da Silva

    2011-04-01

    Full Text Available Introduction: The Parkinson disease can be among the multiple causes of alterations in the physical equilibrium. Accordingly, this study has the objective to evaluate Parkinson patients' physical equilibrium. Method: Potential study in which 12 Parkinson individuals were evaluated by way of tests of static and dynamic equilibrium, dynamic posturography and vectoelectronystagmograph. To compare the dynamic posturography results a group of gauged control was used. Results: Alterations in Romberg-Barré, Unterberger and Walk tests were found. The vestibular exam revealed 06 normal cases, 04 central vestibular syndrome and 02 cases of peripheral vestibular syndrome. In the dynamic posturography, an equilibrium alteration has been verified, when compared to the control group in all Sensorial Organization Tests, in average and in the utilization of vestibular system. Conclusion: Parkinson patients present a physical equilibrium alteration. The dynamic posturography was more sensitive to detect the equilibrium alterations than vectoelectronystagmograph.

  12. A Constructive Generalization of Nash Equilibrium

    CERN Document Server

    Huang, Xiaofei

    2009-01-01

    In a society of multiple individuals, if everybody is only interested in maximizing his own payoff, will there exist any equilibrium for the society? John Nash proved more than 50 years ago that an equilibrium always exists such that nobody would benefit from unilaterally changing his strategy. Nash Equilibrium is a central concept in game theory, which offers the mathematical foundation for social science and economy. However, the original definition is declarative without including a solution to find them. It has been found later that it is computationally difficult to find a Nash equilibrium. Furthermore, a Nash equilibrium may be unstable, sensitive to the smallest variation of payoff functions. Making the situation worse, a society with selfish individuals can have an enormous number of equilibria, making it extremely hard to find out the global optimal one. This paper offers a constructive generalization of Nash equilibrium to cover the case when the selfishness of individuals are reduced to lower level...

  13. Equilibrium Solubility of CO2 in Alkanolamines

    DEFF Research Database (Denmark)

    Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas

    2014-01-01

    Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....

  14. Role of zero-point vibrational corrections to carbon hyperfine coupling constants in organic π radicals

    Science.gov (United States)

    Chen, X.; Rinkevicius, Z.; Ruud, K.; Ågren, H.

    2013-02-01

    By analyzing a set of organic π radicals, we demonstrate that zero-point vibrational corrections give significant contributions to carbon hyperfine coupling constants, in one case even inducing a sign reversal for the coupling constant. We discuss the implications of these findings for the computational analysis of electron paramagnetic spectra based on hyperfine coupling constants evaluated at the equilibrium geometry of radicals. In particular, we note that a dynamical description that involves the nuclear motion is in many cases necessary in order to achieve a semi-quantitatively predictive theory for carbon hyperfine coupling constants. In addition, we discuss the implications of the strong dependence of the carbon hyperfine coupling constants on the zero-point vibrational corrections for the selection of exchange-correlation functionals in density functional theory studies of these constants.

  15. Mathematical models and equilibrium in irreversible microeconomics

    Directory of Open Access Journals (Sweden)

    Anatoly M. Tsirlin

    2010-07-01

    Full Text Available A set of equilibrium states in a system consisting of economic agents, economic reservoirs, and firms is considered. Methods of irreversible microeconomics are used. We show that direct sale/purchase leads to an equilibrium state which depends upon the coefficients of supply/demand functions. To reach the unique equilibrium state it is necessary to add either monetary exchange or an intermediate firm.

  16. Why isn't the solar constant a constant?

    CERN Document Server

    Li, K J; Xu, J C; Gao, P X; Yang, L H; Liang, H F; Zhan, L S

    2012-01-01

    In order to probe the mechanism of variations of the Solar Constant on the inter-solar-cycle scale, total solar irradiance (TSI, the so-called Solar Constant) in the time interval of 7 November 1978 to 20 September 2010 is decomposed into three components through the empirical mode decomposition and time-frequency analyses. The first component is the rotation signal, counting up to 42.31% of the total variation of TSI, which is understood to be mainly caused by large magnetic structures, including sunspot groups. The second is an annual-variation signal, counting up to 15.17% of the total variation, the origin of which is not known at this point in time. Finally, the third is the inter-solar-cycle signal, counting up to 42.52%, which are inferred to be caused by the network magnetic elements in quiet regions, whose magnetic flux ranges from $(4.27-38.01)\\times10^{19}$ Mx.

  17. Fine-structure constant: Is it really a constant?

    Science.gov (United States)

    Bekenstein, Jacob D.

    1982-03-01

    It is often claimed that the fine-structure "constant" α is shown to be strictly constant in time by a variety of astronomical and geophysical results. These constrain its fractional rate of change α˙α to at least some orders of magnitude below the Hubble rate H0. We argue that the conclusion is not as straightforward as claimed since there are good physical reasons to expect α˙α<

  18. Determination of the stability constants for cobalt, nickel and palladium homogeneous catalyst complexes containing triphenylphosphine ligands

    NARCIS (Netherlands)

    Djekic, T.; Zivkovic, Z.; van der Ham, A.G.J.; de Haan, A.B.

    2006-01-01

    Homogeneous catalysts are complex compounds that are always in equilibrium with their free metal, free ligand and other forms of complexes. The ratios between different species are defined by the stability constants, which are influenced by different parameters such as the type of metal, ligand, cou

  19. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    Energy Technology Data Exchange (ETDEWEB)

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  20. The Equilibrium Compositions of Methanol Synthesis System by Cornstalk Syngas

    Science.gov (United States)

    Zhu, Ling-feng; Zhao, Qing-ling; Wang, Yang-yang; Chen, Jing; Zhang, Le; Zhang, Run-tao; Liu, Li-li; Zhang, Zhao-yue

    2010-11-01

    Methanol can be used as a promising alternative for conventional gasoline and Diesel fuel. It is necessary to decompose biomass such as cornstalks in order to produce methanol which is a raw material from agricultural residues. A promising route for processing cornstalks is firstly to gasify cornstalks with thermo-chemical method to prepare the syngas, which can be conducted under a down-flow fixed bed gasifier. The low-heat-value cornstalk syngas produced in this way needs purification and a variety of technical procedures such as deoxygenation, desulfurization, catalytic cracking of tar and hydrogenation. In this paper, the catalytic experiments of methanol synthesis with cornstalk syngas were carried out in a tubular-flow integral and isothermal reactor. The effect such as reaction temperature, pressure, catalyst types, catalyst particle size, syngas flow at entering end and composition of syngas was investigated. Moreover, the equilibrium constants (Kf1, Kf2, KP1, KP2), equilibrium compositions and the concentrations of each part of the equilibrium system for methanol synthesis were calculated by SHBWR state equation under given reaction pressure. The results provided basic data for the design of the industrial equipments in which catalyzed synthesis of methanol from cornstalk gases is operated.

  1. Pasta nucleosynthesis: Molecular dynamics simulations of nuclear statistical equilibrium

    Science.gov (United States)

    Caplan, M. E.; Schneider, A. S.; Horowitz, C. J.; Berry, D. K.

    2015-06-01

    Background: Exotic nonspherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short-range nuclear attraction and long-range Coulomb repulsion. Purpose: We explore the impact nuclear pasta may have on nucleosynthesis during neutron star mergers when cold dense nuclear matter is ejected and decompressed. Methods: We use a hybrid CPU/GPU molecular dynamics (MD) code to perform decompression simulations of cold dense matter with 51 200 and 409 600 nucleons from 0.080 fm-3 down to 0.00125 fm-3 . Simulations are run for proton fractions YP= 0.05, 0.10, 0.20, 0.30, and 0.40 at temperatures T = 0.5, 0.75, and 1.0 MeV. The final composition of each simulation is obtained using a cluster algorithm and compared to a constant density run. Results: Size of nuclei in the final state of decompression runs are in good agreement with nuclear statistical equilibrium (NSE) models for temperatures of 1 MeV while constant density runs produce nuclei smaller than the ones obtained with NSE. Our MD simulations produces unphysical results with large rod-like nuclei in the final state of T =0.5 MeV runs. Conclusions: Our MD model is valid at higher densities than simple nuclear statistical equilibrium models and may help determine the initial temperatures and proton fractions of matter ejected in mergers.

  2. Cryptography in constant parallel time

    CERN Document Server

    Applebaum, Benny

    2013-01-01

    Locally computable (NC0) functions are 'simple' functions for which every bit of the output can be computed by reading a small number of bits of their input. The study of locally computable cryptography attempts to construct cryptographic functions that achieve this strong notion of simplicity and simultaneously provide a high level of security. Such constructions are highly parallelizable and they can be realized by Boolean circuits of constant depth.This book establishes, for the first time, the possibility of local implementations for many basic cryptographic primitives such as one-way func

  3. Henry's law constants of polyols

    Directory of Open Access Journals (Sweden)

    S. Compernolle

    2014-05-01

    Full Text Available Henry's law constants (HLC are derived for several polyols bearing between 2 and 6 hydroxyl groups, based on literature data for water activity, vapour pressure and/or solubility. Depending on the case, infinite dilution activity coefficients (IDACs, solid state pressures or activity coefficient ratios are obtained as intermediary results. For most compounds, these are the first values reported, while others compare favourably with literature data in most cases. Using these values and those from a previous work (Compernolle and Müller, 2014, an assessment is made on the partitioning of polyols, diacids and hydroxy acids to droplet and aqueous aerosol.

  4. Exact constants in approximation theory

    CERN Document Server

    Korneichuk, N

    1991-01-01

    This book is intended as a self-contained introduction for non-specialists, or as a reference work for experts, to the particular area of approximation theory that is concerned with exact constants. The results apply mainly to extremal problems in approximation theory, which in turn are closely related to numerical analysis and optimization. The book encompasses a wide range of questions and problems: best approximation by polynomials and splines; linear approximation methods, such as spline-approximation; optimal reconstruction of functions and linear functionals. Many of the results are base

  5. Reflective Equilibrium: Epistemological or Political?

    Directory of Open Access Journals (Sweden)

    Andrew Lister

    2016-01-01

    Full Text Available One of the reasons for ongoing interest in the work of political philosopher John Rawls is that he developed novel methods for thinking systematically about the nature of justice. This paper examines the moral and epistemological motivations for Rawls’s method of “reflective equilibrium,” and the tension between them in Kai Nielsen’s use of “wide reflective equilibrium” in the service of critical and emancipatory social theory. Une des raisons de l’intérêt soutenu pour l’oeuvre du philosophe politique John Rawls est qu’il a développé de nouvelles méthodes de réflexion systématique au sujet de la nature de la justice. Cet article étudie les motifs moraux et épistémologiques soutenant la méthode d’ «équilibre réflectif» de Rawls, et les tensions entre eux dans l’utilisation par Kai Nielsen d’ «équilibre réflectif étendu» au service de la théorie sociale critique et émancipatrice.

  6. Colin Rowe and ' Dynamic Equilibrium'

    Directory of Open Access Journals (Sweden)

    Pablo López Marín

    2015-05-01

    Full Text Available AbstractIn 1944 Gyorgy Kepes published what undoubtless will be his most influential text, "The language of vision". What Kepes tried to do was a guide of grammar and syntax of vision, which allows to face art as purely sensory experience or just visual, devisted of any literary , semantic or sentimental meaning.Among all the concepts that Kepes developes in his essay perhaps the most decisive one is the so called dynamic equilibrium, which is introduced in this work for fi rst time, verbalizing something that was in the air, orbiting around the entire modern plastic but far only explained in an empirical way.Colin Rowe reverberates the recent readed kepesian ideas on his own writings Transparency: Literal and Phenomenal and Neo-'Classicism' and Modern Architecture I and II, when the author tries to highlight the founding principles of the modern movement refusing the plastic  dimension of the discipline . The article will try to expose and explain this influence.

  7. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  8. Equilibrium avalanches in spin glasses

    Science.gov (United States)

    Le Doussal, Pierre; Müller, Markus; Wiese, Kay Jörg

    2012-06-01

    We study the distribution of equilibrium avalanches (shocks) in Ising spin glasses which occur at zero temperature upon small changes in the magnetic field. For the infinite-range Sherrington-Kirkpatrick (SK) model, we present a detailed derivation of the density ρ(ΔM) of the magnetization jumps ΔM. It is obtained by introducing a multicomponent generalization of the Parisi-Duplantier equation, which allows us to compute all cumulants of the magnetization. We find that ρ(ΔM)˜ΔM-τ with an avalanche exponent τ=1 for the SK model, originating from the marginal stability (criticality) of the model. It holds for jumps of size 1≪ΔMmodel. For finite-range models, using droplet arguments, we obtain the prediction τ=(df+θ)/dm where df,dm, and θ are the fractal dimension, magnetization exponent, and energy exponent of a droplet, respectively. This formula is expected to apply to other glassy disordered systems, such as the random-field model and pinned interfaces. We make suggestions for further numerical investigations, as well as experimental studies of the Barkhausen noise in spin glasses.

  9. Experimental determination of monoethanolamine protonation constant and its temperature dependency

    Directory of Open Access Journals (Sweden)

    Ma’mun Sholeh

    2017-01-01

    Full Text Available Carbon dioxide as one of the major contributors to the global warming problem is produced in large quantities by many important industries and its emission seems to rise from year to year. Aminebased absorption is one of the methods to capture CO2 from its sources. As a reactive system, mass transfer and chemical reaction take place simultaneously. In a vapor-liquid equilibrium model for the CO2-amine-water system, some parameters such as mass transfer coefficients and chemical equilibrium constants need to be known. However, some parameters could be determined experimentally and the rests could be regressed from the model. The protonation constant (pKa, as one of the model parameters, could then be measured experimentally. The purpose of this study is to measure the pKa of monoethanolamine (MEA at a range of temperatures from 303 to 330K by a potentiometric titration method. The experimental data obtained were in a good agreement with the literature data. The pKa data from this work together with those from the literature were then correlated in an empirical correlation to be used for future research.

  10. Stresses and elastic constants of crystalline sodium, from molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schiferl, S.K.

    1985-02-01

    The stresses and the elastic constants of bcc sodium are calculated by molecular dynamics (MD) for temperatures to T = 340K. The total adiabatic potential of a system of sodium atoms is represented by pseudopotential model. The resulting expression has two terms: a large, strictly volume-dependent potential, plus a sum over ion pairs of a small, volume-dependent two-body potential. The stresses and the elastic constants are given as strain derivatives of the Helmholtz free energy. The resulting expressions involve canonical ensemble averages (and fluctuation averages) of the position and volume derivatives of the potential. An ensemble correction relates the results to MD equilibrium averages. Evaluation of the potential and its derivatives requires the calculation of integrals with infinite upper limits of integration, and integrand singularities. Methods for calculating these integrals and estimating the effects of integration errors are developed. A method is given for choosing initial conditions that relax quickly to a desired equilibrium state. Statistical methods developed earlier for MD data are extended to evaluate uncertainties in fluctuation averages, and to test for symmetry. 45 refs., 10 figs., 4 tabs.

  11. Study on constant-pressure specific heat of non-equi- librium phase change process in gas-liquid two-phase flow system

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, the air-water vapor-water system is taken as an example, and the formula of constantpressure specific heat during non-equilibrium phase change process in the two-phase flow system is deduced using the theory of two-phase flow and thermophysics. The constant-pressure specific heat of non-equilibrium phase change process is calculated with the corresponding numerical model, and the numerical results are compared to those of the equilibrium phase change process. It is shown that in evaporation process, the variational rate of the non-equilibrium specific heat increases with increasing initial fluid temperature and particle mass fraction. The smaller particle radius is, the faster the variational rate is. Meanwhile, the constant-pressure specific heat of equilibrium process is higher than that of the non-equilibrium process all the time.

  12. Five-Loop Running of the QCD coupling constant

    CERN Document Server

    Baikov, P A; Kühn, J H

    2016-01-01

    We analytically compute the five-loop term in the beta function which governs the running of $\\alpha_s$ --- the quark-gluon coupling constant in QCD. The new term leads to a reduction of the theory uncertainty in $\\alpha_s$ taken at the Z-boson scale as extracted from the $\\tau$-lepton decays as well as to new, improved by one more order of perturbation theory, predictions for the effective coupling constants of the Standard Model Higgs boson to gluons and for its total decay rate to the quark-antiquark pairs.

  13. Kepler's Constant and WDS Orbit

    CERN Document Server

    Siregar, S

    2012-01-01

    The aim of this work are to find a Kepler's constant by using polynomial regression of the angular separation \\rho = \\rho(t) and the position angle \\theta = \\theta(t). The Kepler's constant obtained is used to derive the element of orbit. As a case study the angular separation and the position angle of the WDS 00063 +5826 and the WDS 04403-5857 were investigated. For calculating the element of orbit the Thiele-Innes van den Bos method is used. The rough data of the angular separation \\rho(t) and the position angle \\theta(t) are taken from the US Naval Observatory, Washington. This work also presents the masses and absolute bolometric magnitudes of each star.These stars include into the main-sequence stars with the spectral class G5V for WDS04403-5857and the type of spectrum G3V for WDS 00063+5826. The life time of the primary star and the secondary star of WDS 04403-5857 nearly equal to 20 Gyr. The life time of the primary star and the secondary star of WDS 00063+5826 are 20 Gyr and 19 Gyr, respectively.

  14. Evaluation of antioxidants using oxidation reaction rate constants

    Institute of Scientific and Technical Information of China (English)

    SHI Yan; ZHAN Xiancheng; MA Lie; LI Linli; LI Chengrong

    2007-01-01

    An evaluation method for the capacity of antioxidants to protect drugs against oxidation is presented.As a new viewpoint,to determine the priority of the competitive oxidations between the antioxidant and the protected drug,and to compare the drug-protection capacity of antioxidants,it is important to determine their oxidation rate constants using chemical kinetics instead of standard oxidation (or reduction) potentials.Sodium sulfite,sodium bisulfite and sodium pyrosulfite were used as models for the determination of oxidation reaction rate constants in aqueous solutions.In the experiments,sufficient air was continually infused into the solution to keep the concentration of dissolved oxygen constant.The residual concentrations of the antioxidants were determined by iodimetry,and the concentration of dissolved oxygen by oxygen electrode.The data were fitted by linear regressions to obtain the reaction rate constants.It was found that the degradation of sodium sulfite,sodium bisulfite or sodium pyrosulfite obeyed pseudo zero-order kinetics in the buffer solutions.Because of the ionization equilibrium,these three antioxidants have the same ion form in solutions at a definite pH value and therefore their apparent rate constants were essentially the same.The average apparent rate constants of the three antioxidants at 25~C are (1.34±0.03)×10-3 at pH 6.8,(1.20±0.02) x 10-3 at pH 4.0 and (6.58±0.02)×10-3 mol.L-1.h-1 at pH 9.2,respectively.

  15. Ab Initio Calculations of Elastic Constants of Li2O under Pressure

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-Feng; CHEN Xiang-Rong; JI Guang-Fu; MENG Chuan-Min

    2006-01-01

    @@ We investigate the equilibrium lattice constant, bulk modulus, elastic constants and Debye temperature of Li2 O under pressure by using ab initio unrestricted Hartree-Fock (HF) linear combination of atomic orbital (LCAO) periodic approach. The obtained results at zero pressure are well consistent with the available experimental data and other theoretical results. It is found that the elastic constants C11, C12 and C44 and bulk modulus B increase monotonously as pressure increases. Also, the anisotropy will weaken and the Debye temperature will rise with pressure increasing.

  16. Extraction of Co(II) from aqueous solution using emulsion liquid membrane.

    Science.gov (United States)

    Gasser, M S; El-Hefny, N E; Daoud, J A

    2008-03-01

    The extraction equilibrium of Co(II) from thiocyanate medium by CYANEX 923 (mixture of straight chain alkylated phosphine oxides) in cyclohexane was studied. The stoichiometry of the extraction reaction was postulated based on slope analysis method and the extraction constant Kex was calculated. The stripping percentage of Co(II) with sulphuric acid from the loaded CYANEX 923 was found to increase with the increase in acid concentration. The extraction of Co(II) from aqueous thiocyanate medium into emulsion liquid membrane using CYANEX 923 extractant was also studied. The influence of different parameters such as stirring speed, surfactant concentration, pH of the extractant phase, carrier concentration, internal phase stripping acid concentration, initial Co(II) concentration as well as temperature on the emulsion stability were investigated. The applicability of the emulsion liquid membrane (ELM) process using CYANEX 923 as extractant and SPAN 80 as surfactant for the removal and the concentration of Co(II) from thiocyanate solution was investigated. The results show that it is possible to recover 95% of cobalt in the inner phase after 10 min of contacting time with a concentration factor of 5.

  17. Vapour-liquid equilibrium relationship between toluene and mixed surfactants.

    Science.gov (United States)

    Tian, Senlin; Li, Yingjie; Mo, Hong; Ning, Ping

    2012-01-01

    Micellar partitioning of volatile organic compounds (VOCs) in surfactant solutions and its effects on vapour-liquid equilibrium is fundamental to the overall design and implementation ofsurfactant-enhanced remediation. Knowledge of the vapour-liquid equilibrium partitioning coefficients for VOCs, especially in contaminated soils and groundwater in which they exist, is required. Headspace experiments were performed to quantify the effect of three mixed surfactants, cetyltrimethyl ammonium bromide (CTMAB) with tetrabutylammonium bromide (TBAB), sodium dodecyl sulphate (SDS) with Triton X-405 (TX405), and CTMAB with Triton X-100 (TX100), on the apparent Henry's constants (Hc) of toluene at temperatures ranging from 25 degrees C to 40 degrees C. The Hc values were significantly reduced in the presence of all three mixed surfactants at concentrations above their critical micelle concentrations (CMC). Mixed micellar partitioning, showing effects on the vapour-liquid equilibrium of toluene, was primarily responsible for the significant reduction of Hc in their mixed systems. The mixed surfactants CTMAB-TX100 had the greatest effect on Hc above the CMC, followed by SDS-TX405, then CTMAB-TBAB. Mixed systems of CTMAB-TX100 decreased Hc at concentrations significantly lower than the SDS-TX405 and CTMAB-TBAB concentrations, because of to the lower CMC of CTMAB-TX100. Vapour-liquid equilibrium data were also tested against the model (Hc = H/(1 + K(X - CMC)) that described the partitioning of VOCs in vapour-water-micelle phases. The correlation of Hc with mixed surfactant concentrations (X) and CMC can be utilized as an effective tool to predict the Hc by mixed surfactants.

  18. Non-equilibrium modelling of distillation

    NARCIS (Netherlands)

    Wesselingh, JA; Darton, R

    1997-01-01

    There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase

  19. Approximate Equilibrium Problems and Fixed Points

    Directory of Open Access Journals (Sweden)

    H. Mazaheri

    2013-01-01

    Full Text Available We find a common element of the set of fixed points of a map and the set of solutions of an approximate equilibrium problem in a Hilbert space. Then, we show that one of the sequences weakly converges. Also we obtain some theorems about equilibrium problems and fixed points.

  20. The Geometry of Finite Equilibrium Datasets

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...

  1. Equilibrium Tail Distribution Due to Touschek Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nash,B.; Krinsky, S.

    2009-05-04

    Single large angle Coulomb scattering is referred to as Touschek scattering. In addition to causing particle loss when the scattered particles are outside the momentum aperture, the process also results in a non-Gaussian tail, which is an equilibrium between the Touschek scattering and radiation damping. Here we present an analytical calculation for this equilibrium distribution.

  2. Zeroth Law, Entropy, Equilibrium, and All That

    Science.gov (United States)

    Canagaratna, Sebastian G.

    2008-01-01

    The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…

  3. System of Operator Quasi Equilibrium Problems

    Directory of Open Access Journals (Sweden)

    Suhel Ahmad Khan

    2014-01-01

    Full Text Available We consider a system of operator quasi equilibrium problems and system of generalized quasi operator equilibrium problems in topological vector spaces. Using a maximal element theorem for a family of set-valued mappings as basic tool, we derive some existence theorems for solutions to these problems with and without involving Φ-condensing mappings.

  4. Zeroth Law, Entropy, Equilibrium, and All That

    Science.gov (United States)

    Canagaratna, Sebastian G.

    2008-01-01

    The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…

  5. Graphs with constant μ and μ

    NARCIS (Netherlands)

    van Dam, E.R.; Haemers, W.H.

    1995-01-01

    A graph G has constant u = u(G) if any two vertices that are not adjacent have u common neighbours. G has constant u and u if G has constant u = u(G), and its complement G has constant u = u(G). If such a graph is regular, then it is strongly regular, otherwise precisely two vertex degrees occur. We

  6. Cosmological constant and curved 5D geometry

    CERN Document Server

    Ito, M

    2002-01-01

    We study the value of cosmological constant in de Sitter brane embedded in five dimensions with positive, vanishing and negative bulk cosmological constant. In the case of negative bulk cosmological constant, we show that not zero but tiny four-dimensional cosmological constant can be realized by tiny deviation from bulk curvature of the Randall-Sundrum model.

  7. Stability constant estimator user`s guide

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P.; Castleton, K.J.; Rustad, J.R.

    1996-12-01

    The purpose of the Stability Constant Estimator (SCE) program is to estimate aqueous stability constants for 1:1 complexes of metal ions with ligands by using trends in existing stability constant data. Such estimates are useful to fill gaps in existing thermodynamic databases and to corroborate the accuracy of reported stability constant values.

  8. Biodegradation testing of chemicals with high Henry's constants - Separating mass and effective concentration reveals higher rate constants.

    Science.gov (United States)

    Birch, Heidi; Andersen, Henrik R; Comber, Mike; Mayer, Philipp

    2017-05-01

    During simulation-type biodegradation tests, volatile chemicals will continuously partition between water phase and headspace. This study addressed how (1) this partitioning affects test results and (2) can be accounted for by combining equilibrium partition and dynamic biodegradation models. An aqueous mixture of 9 (semi)volatile chemicals was first generated using passive dosing and then diluted with environmental surface water producing concentrations in the ng/L to μg/L range. After incubation for 2 h to 4 weeks, automated Headspace Solid Phase Microextraction (HS-SPME) was applied directly on the test systems to measure substrate depletion by biodegradation relatively to abiotic controls. HS-SPME was also applied to determine air to water partitioning ratios. Biodegradation rate constants relating to the chemical in the water phase, kwater, were generally a factor 1 to 11 times higher than biodegradation rate constants relating to the total mass of chemical in the test system, ksystem, with one exceptional factor of 72 times for a long chain alkane. True water phase degradation rate constants were found (i) more appropriate for risk assessment than test system rate constants, (ii) to facilitate extrapolation to other air-water systems and (iii) to be better defined input parameters for aquatic exposure and fate models.

  9. Equilibrium and kinetic studies on ligand substitution reactions of chloromethyl(aquo)cobaloxime with aromatic and aliphatic N-donor ligands

    Indian Academy of Sciences (India)

    D Sudarshan Reddy; S Satyanarayana

    2003-06-01

    Equilibria and kinetics of the reactions of chloromethyl(aquo)cobaloxime with histamine, histidine, glycine and ethyl glycine ester were studied as a function of pH at 25°C, 1.0 M ionic strength (KCl) by spectrophotometric techniques. Comparison of equilibrium constants and rate constants tells that the order is Hisdn > Hiamn > Gly > EtGlyest. The rate of substitution of H2O varies with the p of the incoming ligand and nucleophilic participation of the ligand in the transition state. The rate constants and equilibrium constants are correlated to the hardness and softness of the ligands and the Co(III) of cobaloxime.

  10. Determination of persistent organic pollutants in solid environmental samples using accelerated solvent extraction and supercritical fluid extraction. Exhaustive extraction and sorption/desorption studies of PCBs

    Energy Technology Data Exchange (ETDEWEB)

    Bjoerklund, E.

    1998-10-01

    Human activity is constantly causing environmental problems due to production and release of numerous chemicals. A group of compounds of special concern is persistent organic pollutants (POP). These toxic, lipophilic chemicals have a high chemical and biological stability, and tend to accumulate in the lipid phase of living organisms. A major sink for POPs are sediments, and consequently these are important for the distribution of POPs in the aquatic environment. Traditionally, determination of POPs relay on exhaustive extraction using liquid extraction techniques (e.g. Soxhlet extraction developed in the late 19th century) followed by gas chromatographic analysis. Since liquid-solid extraction normally requires large volumes of organic solvents in combination with long extraction times and extract clean-up, there has been an increasing demand for improved technology. This should result in reduced organic solvent consumption and sample preparation time, at the same time improving the environment and cutting costs for POP monitoring. In this thesis two modern techniques with capability of fulfilling at least one of these goals have been investigated: (1) Supercritical Fluid Extraction (SFE), and (2) Accelerated Solvent Extraction (ASE). Polychlorinated biphenyls (PCBs) were chosen as model compounds in all experiments performed on environmental matrices, since they cover a relatively large range of physiochemical parameters. Important parameters influencing the overall extraction efficiency in ASE and SFE, are discussed and illustrated for a large number of sediments. It was demonstrated that, by careful consideration of the experimental parameters, both techniques are capable of replacing old methods such as Soxhlet extraction. ASE is somewhat faster than SFE, but the extracts generated in SFE are much cleaner and can be analyzed without sample clean-up. Consequently the overall sample preparation time may be substantially lower using SFE. However, ASE is important

  11. Economic networks in and out of equilibrium

    CERN Document Server

    Squartini, Tiziano

    2013-01-01

    Economic and financial networks play a crucial role in various important processes, including economic integration, globalization, and financial crises. Of particular interest is understanding whether the temporal evolution of a real economic network is in a (quasi-)stationary equilibrium, i.e. characterized by smooth structural changes rather than abrupt transitions. Smooth changes in quasi-equilibrium networks can be generally controlled for, and largely predicted, via an appropriate rescaling of structural quantities, while this is generally not possible for abrupt transitions in non-stationary networks. Here we study whether real economic networks are in or out of equilibrium by checking their consistency with quasi-equilibrium maximum-entropy ensembles of graphs. As illustrative examples, we consider the International Trade Network (ITN) and the Dutch Interbank Network (DIN). We show that, despite the globalization process, the ITN is an almost perfect example of quasi-equilibrium network, while the DIN ...

  12. Cosmological particle production and generalized thermodynamic equilibrium

    CERN Document Server

    Zimdahl, W

    1998-01-01

    With the help of a conformal, timelike Killing-vector we define generalized equilibrium states for cosmological fluids with particle production. For massless particles the generalized equilibrium conditions require the production rate to vanish and the well known ``global'' equilibrium of standard relativistic thermodynamics is recovered as a limiting case. The equivalence between the creation rate for particles with nonzero mass and an effective viscous fluid pressure follows as a consequence of the generalized equilibrium properties. The implications of this equivalence for the cosmological dynamics are discussed, including the possibility of a power-law inflationary behaviour. For a simple gas a microscopic derivation for such kind of equilibrium is given on the basis of relativistic kinetic theory.

  13. Equilibrium and Sudden Events in Chemical Evolution

    CERN Document Server

    Weinberg, David H; Freudenburg, Jenna

    2016-01-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models and explore their implications. In contrast to existing analytic models, we incorporate a realistic delay time distribution for Type Ia supernovae (SNIa) and can therefore track the separate evolution of $\\alpha$-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNIa. In generic cases, $\\alpha$ and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter $\\eta$, while the equilibrium abundance ratio [$\\alpha$/Fe] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Sy...

  14. Disturbances in equilibrium function after major earthquake

    Science.gov (United States)

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-10-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.

  15. Conjectural Equilibrium in Water-filling Games

    CERN Document Server

    Su, Yi

    2008-01-01

    This paper considers a non-cooperative game in which competing users sharing a frequency-selective interference channel selfishly optimize their power allocation in order to improve their achievable rates. Previously, it was shown that a user having the knowledge of its opponents' channel state information can make foresighted decisions and substantially improve its performance compared with the case in which it deploys the conventional iterative water-filling algorithm, which does not exploit such knowledge. This paper discusses how a foresighted user can acquire this knowledge by modeling its experienced interference as a function of its own power allocation. To characterize the outcome of the multi-user interaction, the conjectural equilibrium is introduced, and the existence of this equilibrium for the investigated water-filling game is proved. Interestingly, both the Nash equilibrium and the Stackelberg equilibrium are shown to be special cases of the generalization of conjectural equilibrium. We develop...

  16. Constant training in direct ophthalmoscopy

    Directory of Open Access Journals (Sweden)

    Younan HC

    2017-08-01

    Full Text Available Helen-Cara Younan, Rishi Iyer, Janaki Natasha DesaiFaculty of Medicine, Imperial College London, London, UKWe read with great interest the review by Ricci and Ferraz on the advances in training and practice in ophthalmoscopy simulation.1As final year medical students, we have recently experienced direct ophthalmoscopy teaching and agree with the authors that “simulation is a helpful tool in ophthalmoscopy training”.1 Indeed, in our experience, simulation is useful in teaching a wide variety of clinical skills including venepuncture, intravenous cannulation, and catheterization. We were taught all of these clinical skills in our first clinical year of study through use of simulation models. With regards to our direct ophthalmoscopy teaching, we were first taught to recognize the normal retina and different retinal pathologies using images, before practicing our technique and recognition of those images in a model similar to the THELMA (The Human Eye Learning Model Assistant described by the authors.1However, we feel that the use of simulation models alone is not enough to provide confidence and competency in direct ophthalmoscopy among medical students. The authors conclude that “constant training is a well-known strategy for skill enhancement”,1 and we have found that a lack of constant training in direct ophthalmoscopy is evident. After learning venepuncture, cannulation, and catheterization on the simulation models, we were able to observe doctors performing these skills before performing them on patients either in the wards or in theatre. These are skills that we are constantly trained in across a wide variety of medical and surgical attachments. However, opportunities to observe and practice ophthalmoscopy during our attachments are more limited, and thus we are not continuing to use the skills we learn.Authors' replyLucas Holderegger Ricci,1 Caroline Amaral Ferraz21Department of Ophthalmology, School of Medicine, Laureate

  17. The fundamental constants a mystery of physics

    CERN Document Server

    Fritzsch, Harald

    2009-01-01

    The speed of light, the fine structure constant, and Newton's constant of gravity — these are just three among the many physical constants that define our picture of the world. Where do they come from? Are they constant in time and across space? In this book, physicist and author Harald Fritzsch invites the reader to explore the mystery of the fundamental constants of physics in the company of Isaac Newton, Albert Einstein, and a modern-day physicist

  18. Complex Formation in a Liquid-Liquid Extraction System Containing Co(II), 4-(2-Thiazolylazo)resorcinol and Monotetrazolium Salt.

    Science.gov (United States)

    Divarova, Vidka; Stojnova, Kirila; Racheva, Petya; Lekova, Vanya

    2016-01-01

    The ion-associated complex formed between anionic chelate of Co(II)-4-(2-Thiazolylazo)resorcinol (TAR) with the monotetrazolium cation of 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride (INT) in the liquid-liquid extraction system Co(II)-TAR-INT-H(2)O-CHCl(3) was studied by the spectrophotometric method. The optimum extraction conditions of Co(II) were found. The extraction equilibria were studied. The equilibrium constants, the recovery factor and some analytical characteristics were calculated. The validity of Beer's law was checked. The molar ratio of the components in the ternary ion-associated complex Co(II)-TAR-INT was determined. The general formula of the complex was suggested. The effect of various foreign ions and reagents on the process of complex formation in the liquid-liquid extraction system was studied.

  19. Constant Proportion Debt Obligations (CPDOs)

    DEFF Research Database (Denmark)

    Cont, Rama; Jessen, Cathrine

    2012-01-01

    be made arbitrarily small—and thus the credit rating arbitrarily high—by increasing leverage, but the ratings obtained strongly depend on assumptions on the credit environment (high spread or low spread). More importantly, CPDO loss distributions are found to exhibit a wide range of tail risk measures......Constant Proportion Debt Obligations (CPDOs) are structured credit derivatives that generate high coupon payments by dynamically leveraging a position in an underlying portfolio of investment-grade index default swaps. CPDO coupons and principal notes received high initial credit ratings from...... the major rating agencies, based on complex models for the joint transition of ratings and spreads for all names in the underlying portfolio. We propose a parsimonious model for analysing the performance of CPDO strategies using a top-down approach that captures the essential risk factors of the CPDO. Our...

  20. Henry's law constants of polyols

    Directory of Open Access Journals (Sweden)

    S. Compernolle

    2014-12-01

    Full Text Available Henry's law constants (HLC are derived for several polyols bearing between 2 and 6 hydroxyl groups, based on literature data for water activity, vapour pressure and/or solubility. While deriving HLC and depending on the case, also infinite dilution activity coefficients (IDACs, solid state vapour pressures or activity coefficient ratios are obtained as intermediate results. An error analysis on the intermediate quantities and the obtained HLC is included. For most compounds, these are the first values reported, while others compare favourably with literature data in most cases. Using these values and those from a previous work (Compernolle and Müller, 2014, an assessment is made on the partitioning of polyols, diacids and hydroxy acids to droplet and aqueous aerosol.

  1. Omnidirectional antenna having constant phase

    Energy Technology Data Exchange (ETDEWEB)

    Sena, Matthew

    2017-04-04

    Various technologies presented herein relate to constructing and/or operating an antenna having an omnidirectional electrical field of constant phase. The antenna comprises an upper plate made up of multiple conductive rings, a lower ground-plane plate, a plurality of grounding posts, a conical feed, and a radio frequency (RF) feed connector. The upper plate has a multi-ring configuration comprising a large outer ring and several smaller rings of equal size located within the outer ring. The large outer ring and the four smaller rings have the same cross-section. The grounding posts ground the upper plate to the lower plate while maintaining a required spacing/parallelism therebetween.

  2. Liquid-liquid extraction of ion-association complexes of cobalt(II-4-(2-pyridylazoresorcinol with ditetrazolium salts

    Directory of Open Access Journals (Sweden)

    Divarova Vidka V.

    2015-01-01

    Full Text Available The formation and liquid-liquid extraction of ion-association complexes between Co(II-4-(2-Pyridylazoresorcinol (PAR anionic chelates and cations of three ditetrazolium chlorides were studied: Blue Tetrazolium chloride (BTC, Neotetrazolium chloride (NTC and Nitro Blue Tetrazolium chloride (NBT. The optimum conditions for the formation and solvent extraction of the ion-association comlpex chelates were determined. It has been found that in the systems of Co(II-PAR-DTS, the reactants are reacted in molar ratios 1:2:1 and the general formula of complexes was suggested. The extraction equilibria were investigated and quantitatively characterized by the equilibrium constants and the recovery factors. The analytical characteristics of the complexes were calculated.

  3. Influence of the ammonium salt anion on the synergistic solvent extraction of lanthanides with mixtures of thenoyltrifluoroacetone and tridecylamine

    Energy Technology Data Exchange (ETDEWEB)

    Dukov, I.L.; Jordanov, V.M. [Univ. of Chemical Technology and Metallurgy, Sofia (Bulgaria). Dept. of Inorganic Chemistry

    1998-08-01

    The synergistic solvent extraction of Pr, Gd and Yb with mixtures of thenoyltrifluoroacetone (HTTA) and primary ammonium salt (tridecylammonium chloride or perchlorate, TDAH(Cl, ClO{sub 4})) in C{sub 6}H{sub 6} has been studied. The composition of the extracted species have been determined as Ln(TTA){sub 3}TDAHA(A{sup {minus}} = Cl{sup {minus}} or ClO{sub 4}{sup {minus}}). The values of the equilibrium constant K{sub T,S} have been calculated. The influence of the ammonium salt anion on the extraction process has been discussed. The separation factors of the pairs Gd/Pr and Yb/Gd have been determined.

  4. Enhanced extraction and separation of trivalent lanthanoids with 3-phenyl-4-(4-fluorobenzoyl)-5-isoxazolone and dicyclohexano-18-crown-6

    Energy Technology Data Exchange (ETDEWEB)

    Pavithran, R.; Reddy, M.L.P. [Separation Science and Technology Group, Regional Research Lab. (CSIR), Trivandrum (India)

    2003-07-01

    The synergistic extraction of trivalent lanthanoids Nd, Eu and Tm with mixtures of 3-phenyl-4-(4-fluorobenzoyl)-5-isoxazolone (HFBPI) and dicyclohexano-18-crown-6 (DC18C6) in 1,2-dichloroethane from nitrate solutions has been investigated. The results demonstrated that these trivalent lanthanoids were extracted into 1,2-dichloroethane as Ln(FBPI){sub 3} with HFBPI alone and as Ln(FBPI){sub 3}.DC18C6 in the presence of crown ether. The equilibrium constants of the above extracted complexes have been deduced by non-linear regression analysis. The equilibrium constants of the synergistic species were found to increase monotonically with decrease in ionic radii of these metal ions. The addition of a crown ether to the metal chelate system not only enhanced the extraction efficiency significantly but also improved the selectivites among these trivalent lanthanoids. Solid complexes of these metal ions with HFBPI and with mixtures of HFBPI and crown ether have also been isolated and characterised by IR and {sup 1}H NMR spectroscopic techniques.

  5. Stepwise kinetic equilibrium models of quantitative polymerase chain reaction

    Directory of Open Access Journals (Sweden)

    Cobbs Gary

    2012-08-01

    Full Text Available Abstract Background Numerous models for use in interpreting quantitative PCR (qPCR data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Results Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the

  6. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation Modelling

    Science.gov (United States)

    2009-10-01

    Beattie - Bridgeman Virial expansion The above equations are suitable for moderate pressures and are usually based on either empirical constants...CR 2010-013 October 2009 A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation...Defence R&D Canada. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation

  7. An experiment on radioactive equilibrium and its modelling using the ‘radioactive dice’ approach

    Science.gov (United States)

    Santostasi, Davide; Malgieri, Massimiliano; Montagna, Paolo; Vitulo, Paolo

    2017-07-01

    In this article we describe an educational activity on radioactive equilibrium we performed with secondary school students (17-18 years old) in the context of a vocational guidance stage for talented students at the Department of Physics of the University of Pavia. Radioactive equilibrium is investigated experimentally by having students measure the activity of 214Bi from two different samples, obtained using different preparation procedures from an uraniferous rock. Students are guided in understanding the mathematical structure of radioactive equilibrium through a modelling activity in two parts. Before the lab measurements, a dice game, which extends the traditional ‘radioactive dice’ activity to the case of a chain of two decaying nuclides, is performed by students divided into small groups. At the end of the laboratory work, students design and run a simple spreadsheet simulation modelling the same basic radioactive chain with user defined decay constants. By setting the constants to realistic values corresponding to nuclides of the uranium decay chain, students can deepen their understanding of the meaning of the experimental data, and also explore the difference between cases of non-equilibrium, transient and secular equilibrium.

  8. Equilibrium Statistics: Monte Carlo Methods

    Science.gov (United States)

    Kröger, Martin

    Monte Carlo methods use random numbers, or ‘random’ sequences, to sample from a known shape of a distribution, or to extract distribution by other means. and, in the context of this book, to (i) generate representative equilibrated samples prior being subjected to external fields, or (ii) evaluate high-dimensional integrals. Recipes for both topics, and some more general methods, are summarized in this chapter. It is important to realize, that Monte Carlo should be as artificial as possible to be efficient and elegant. Advanced Monte Carlo ‘moves’, required to optimize the speed of algorithms for a particular problem at hand, are outside the scope of this brief introduction. One particular modern example is the wavelet-accelerated MC sampling of polymer chains [406].

  9. LP Well-Posedness for Bilevel Vector Equilibrium and Optimization Problems with Equilibrium Constraints

    Directory of Open Access Journals (Sweden)

    Phan Quoc Khanh

    2014-01-01

    Full Text Available The purpose of this paper is introduce several types of Levitin-Polyak well-posedness for bilevel vector equilibrium and optimization problems with equilibrium constraints. Base on criterion and characterizations for these types of Levitin-Polyak well-posedness we argue on diameters and Kuratowski’s, Hausdorff’s, or Istrǎtescus measures of noncompactness of approximate solution sets under suitable conditions, and we prove the Levitin-Polyak well-posedness for bilevel vector equilibrium and optimization problems with equilibrium constraints. Obtain a gap function for bilevel vector equilibrium problems with equilibrium constraints using the nonlinear scalarization function and consider relations between these types of LP well-posedness for bilevel vector optimization problems with equilibrium constraints and these types of Levitin-Polyak well-posedness for bilevel vector equilibrium problems with equilibrium constraints under suitable conditions; we prove the Levitin-Polyak well-posedness for bilevel equilibrium and optimization problems with equilibrium constraints.

  10. Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

    Science.gov (United States)

    Gordon, Sanford; Mcbride, Bonnie J.

    1994-01-01

    This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

  11. Is There a Cosmological Constant?

    Science.gov (United States)

    Kochanek, Christopher

    2002-07-01

    The grant contributed to the publication of 18 refereed papers and 5 conference proceedings. The primary uses of the funding have been for page charges, travel for invited talks related to the grant research, and the support of a graduate student, Charles Keeton. The refereed papers address four of the primary goals of the proposal: (1) the statistics of radio lenses as a probe of the cosmological model (#1), (2) the role of spiral galaxies as lenses (#3), (3) the effects of dust on statistics of lenses (#7, #8), and (4) the role of groups and clusters as lenses (#2, #6, #10, #13, #15, #16). Four papers (#4, #5, #11, #12) address general issues of lens models, calibrations, and the relationship between lens galaxies and nearby galaxies. One considered cosmological effects in lensing X-ray sources (#9), and two addressed issues related to the overall power spectrum and theories of gravity (#17, #18). Our theoretical studies combined with the explosion in the number of lenses and the quality of the data obtained for them is greatly increasing our ability to characterize and understand the lens population. We can now firmly conclude both from our study of the statistics of radio lenses and our survey of extinctions in individual lenses that the statistics of optically selected quasars were significantly affected by extinction. However, the limits on the cosmological constant remain at lambda sigma confidence level, which is in mild conflict with the results of the Type la supernova surveys. We continue to find that neither spiral galaxies nor groups and clusters contribute significantly to the production of gravitational lenses. The lack of group and cluster lenses is strong evidence for the role of baryonic cooling in increasing the efficiency of galaxies as lenses compared to groups and clusters of higher mass but lower central density. Unfortunately for the ultimate objective of the proposal, improved constraints on the cosmological constant, the next large survey

  12. Electric Current Equilibrium in the Corona

    CERN Document Server

    Filippov, Boris

    2013-01-01

    A hyperbolic flux-tube configuration containing a null point below the flux rope is considered as a pre-eruptive state of coronal mass ejections that start simultaneously with flares. We demonstrate that this configuration is unstable and cannot exist for a long time in the solar corona. The inference follows from general equilibrium conditions and from analyzing simple models of the flux-rope equilibrium. A direct consequence of the stable flux-rope equilibrium in the corona are separatrices in the horizontal-field distribution in the chromosphere. They can be recognized as specific "herring-bone structures" in a chromospheric fibril pattern.

  13. Electric Current Equilibrium in the Corona

    Science.gov (United States)

    Filippov, Boris

    2013-04-01

    A hyperbolic flux-tube configuration containing a null point below the flux rope is considered as a pre-eruptive state of coronal mass ejections that start simultaneously with flares. We demonstrate that this configuration is unstable and cannot exist for a long time in the solar corona. The inference follows from general equilibrium conditions and from analyzing simple models of the flux-rope equilibrium. A direct consequence of the stable flux-rope equilibrium in the corona are separatrices in the horizontal-field distribution in the chromosphere. They can be recognized as specific "herring-bone structures" in a chromospheric fibril pattern.

  14. A Multi Period Equilibrium Pricing Model

    CERN Document Server

    Pirvu, Traian A

    2012-01-01

    In this paper, we propose an equilibrium pricing model in a dynamic multi-period stochastic framework with uncertain income streams. In an incomplete market, there exist two traded risky assets (e.g. stock/commodity and weather derivative) and a non-traded underlying (e.g. temperature). The risk preferences are of exponential (CARA) type with a stochastic coefficient of risk aversion. Both time consistent and time inconsistent trading strategies are considered. We obtain the equilibriums prices of a contingent claim written on the risky asset and non-traded underlying. By running numerical experiments we examine how the equilibriums prices vary in response to changes in model parameters.

  15. Scaling and chiral extrapolation of pion mass and decay constant with maximally twisted mass QCD

    CERN Document Server

    Dimopoulos, P; Herdoiza, G; Jansen, K; Michael, C; Urbach, C

    2008-01-01

    We present an update of the results for pion mass and pion decay constant as obtained by the ETM collaboration in large scale simulations with maximally twisted mass fermions and two mass degenerate flavours of light quarks. We discuss the continuum, chiral and infinite volume extrapolation of these quantities as well as the extraction of low energy constants, and investigate possible systematic uncertainties.

  16. Direct Measurement of Free Estradiol in Human Serum and Plasma by Equilibrium Dialysis-Liquid Chromatography-Tandem Mass Spectrometry.

    Science.gov (United States)

    Ray, Julie A; Kushnir, Mark M; Rockwood, Alan L; Meikle, A Wayne

    2016-01-01

    We describe a direct method of measurement of free estradiol using equilibrium dialysis followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS). Serum aliquots and internal standards are extracted by liquid-liquid extraction using methyl-tert-butyl ether (MTBE) followed by derivatization with dansyl chloride. An API 5500 mass spectrometer operated in positive electrospray mode is used for detection.

  17. Accurate lineshape spectroscopy and the Boltzmann constant.

    Science.gov (United States)

    Truong, G-W; Anstie, J D; May, E F; Stace, T M; Luiten, A N

    2015-10-14

    Spectroscopy has an illustrious history delivering serendipitous discoveries and providing a stringent testbed for new physical predictions, including applications from trace materials detection, to understanding the atmospheres of stars and planets, and even constraining cosmological models. Reaching fundamental-noise limits permits optimal extraction of spectroscopic information from an absorption measurement. Here, we demonstrate a quantum-limited spectrometer that delivers high-precision measurements of the absorption lineshape. These measurements yield a very accurate measurement of the excited-state (6P1/2) hyperfine splitting in Cs, and reveals a breakdown in the well-known Voigt spectral profile. We develop a theoretical model that accounts for this breakdown, explaining the observations to within the shot-noise limit. Our model enables us to infer the thermal velocity dispersion of the Cs vapour with an uncertainty of 35 p.p.m. within an hour. This allows us to determine a value for Boltzmann's constant with a precision of 6 p.p.m., and an uncertainty of 71 p.p.m.

  18. Equilibrium and non-equilibrium emission of complex fragments

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, D.R.

    1989-08-01

    Complex fragment emission (Z{gt}2) has been studied in the reactions of 50, 80, and 100 MeV/u {sup 139}La + {sup 12}C, and 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au. Charge, angle, and energy distributions were measured inclusively and in coincidence with other complex fragments, and were used to extract the source rapidities, velocity distributions, and cross sections. The experimental emission velocity distributions, charge loss distributions, and cross sections have been compared with calculations based on statistical compound nucleus decay. The binary signature of the coincidence events and the sharpness of the velocity distributions illustrate the primarily 2-body nature of the {sup 139}La + {sup 12}C reaction mechanism between 50 and 100 MeV/u. The emission velocities, angular distributions, and absolute cross sections of fragments of 20{le}Z{le}35 at 50 MeV/u, 19{le}Z{le}28 at 80 MeV/u, and 17{le}Z{le}21 at 100 MeV/u indicate that these fragments arise solely from the binary decay of compound nuclei formed in incomplete fusion reactions in which the {sup 139}La projectile picks up about one-half of the {sup 12}C target. In the 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au reactions, the disappearance of the binary signature in the total charge and velocity distributions suggests and increase in the complex fragment and light charged particle multiplicity with increasing target mass. As in the 80 and 100 MeV/u {sup 139}La + {sup 12}C reactions, the lighter complex fragments exhibit anisotropic angular distributions and cross sections that are too large to be explained exclusively by statistical emission. 143 refs., 67 figs.

  19. Is There a Cosmological Constant?

    Science.gov (United States)

    Kochanek, Christopher; Oliversen, Ronald J. (Technical Monitor)

    2002-01-01

    The grant contributed to the publication of 18 refereed papers and 5 conference proceedings. The primary uses of the funding have been for page charges, travel for invited talks related to the grant research, and the support of a graduate student, Charles Keeton. The refereed papers address four of the primary goals of the proposal: (1) the statistics of radio lenses as a probe of the cosmological model (#1), (2) the role of spiral galaxies as lenses (#3), (3) the effects of dust on statistics of lenses (#7, #8), and (4) the role of groups and clusters as lenses (#2, #6, #10, #13, #15, #16). Four papers (#4, #5, #11, #12) address general issues of lens models, calibrations, and the relationship between lens galaxies and nearby galaxies. One considered cosmological effects in lensing X-ray sources (#9), and two addressed issues related to the overall power spectrum and theories of gravity (#17, #18). Our theoretical studies combined with the explosion in the number of lenses and the quality of the data obtained for them is greatly increasing our ability to characterize and understand the lens population. We can now firmly conclude both from our study of the statistics of radio lenses and our survey of extinctions in individual lenses that the statistics of optically selected quasars were significantly affected by extinction. However, the limits on the cosmological constant remain at lambda Labor and Munoz).

  20. Equilibrium Time-Consistent Strategy for Corporate International Investment Problem with Mean-Variance Criterion

    Directory of Open Access Journals (Sweden)

    Jun Long

    2016-01-01

    Full Text Available We analyze a continuous-time model for corporate international investment problem (CIIP with mean-variance criterion. Based on Nash subgame perfect equilibrium theory, we define an infinitesimal operator and directly derive an extended Hamilton-Jacobi-Bellman (HJB equation. Besides, we also obtain the equilibrium time-consistent strategy for CIIP. In addition, we discuss two cases of risk aversion coefficient; one is constant and the other is state dependent. Finally, the simulation results are given to illustrate our conclusions and the influence of some parameters on the optimal solution.

  1. Solvent Extraction of Some Lanthanides with Trioctylphosphine Oxide in Molten Paraffin Wax

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The extraction behavior of Ln(Ⅲ) (Ln=Nd, Sm, Tb and Yb) with trioctylphosphine oxide (TOPO) in molten paraffin wax has been studied. The effect of pH, TOPO concentration, medium, stirring time and the amount of salts added on the distribution of lanthanides between two phases were investigated. Two different compositions Ln(H2O)s€?(TOPO)2(OH)2NO3 (Ln=Nd and Sm) and Ln(H2O)s€?(TOPO)2(OH)(NO3)2 (Ln=Tb and Yb) were determined by slope analysis method. The equilibrium extraction constant Kex and pH1/2 value were calculated and the thermodynamic parameters were obtained from the dependence of Kex on the temperature.

  2. Reactive extraction of lactic acid using alamine

    NARCIS (Netherlands)

    Wasewar, Kailas L.; Heesink, Albertus B.M.; Versteeg, Geert; Pangarkar, Vishwas G.

    2002-01-01

    Lactic acid is an important commercial product and extracting it out of aqueous solution is a growing requirement in fermentation based industries and recovery from waste streams. The design of an amine extraction process requires (i) equilibrium and (ii) kinetic data for the acid–amine (solvent) sy

  3. Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations.

    Science.gov (United States)

    Noé, Frank; Schütte, Christof; Vanden-Eijnden, Eric; Reich, Lothar; Weikl, Thomas R

    2009-11-10

    Characterizing the equilibrium ensemble of folding pathways, including their relative probability, is one of the major challenges in protein folding theory today. Although this information is in principle accessible via all-atom molecular dynamics simulations, it is difficult to compute in practice because protein folding is a rare event and the affordable simulation length is typically not sufficient to observe an appreciable number of folding events, unless very simplified protein models are used. Here we present an approach that allows for the reconstruction of the full ensemble of folding pathways from simulations that are much shorter than the folding time. This approach can be applied to all-atom protein simulations in explicit solvent. It does not use a predefined reaction coordinate but is based on partitioning the state space into small conformational states and constructing a Markov model between them. A theory is presented that allows for the extraction of the full ensemble of transition pathways from the unfolded to the folded configurations. The approach is applied to the folding of a PinWW domain in explicit solvent where the folding time is two orders of magnitude larger than the length of individual simulations. The results are in good agreement with kinetic experimental data and give detailed insights about the nature of the folding process which is shown to be surprisingly complex and parallel. The analysis reveals the existence of misfolded trap states outside the network of efficient folding intermediates that significantly reduce the folding speed.

  4. Stochastic approach to equilibrium and nonequilibrium thermodynamics.

    Science.gov (United States)

    Tomé, Tânia; de Oliveira, Mário J

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

  5. Effect of Ultrasound on Desorption Equilibrium

    Institute of Scientific and Technical Information of China (English)

    秦炜; 原永辉; 戴猷元

    2001-01-01

    Effects of ultrasound on intensification of separation process were investigated through the experiment of desorption equilibrium behavior. Tri-butyl phosphate (TBP) on NKA-X resin and phenol on a solvent impregnated resin, CL-TBP resin, were used for desorption processes. The desorption rate was measured with and without ultrasound. Desorption equilibrium was studied under various ultrasonic power densities or thermal infusion. Results showed that the desorption rate with ultrasound was much higher than that with normal thermal infusion. Both ultrasound and thermal infusion broke the desorption equilibrium existed at room temperature. However, after the systems were cooled down, the amount of solute desorbed in the liquid phase in the presence of ultrasound was much higher than that at the temperature corresponding to the same ultrasound power. It is proved that the initial desorption equilibrium was broken as a result of the spot energy effect of ultrasound.

  6. Equilibrium Analysis for Anycast in WDM Networks

    Institute of Scientific and Technical Information of China (English)

    唐矛宁; 王汉兴

    2005-01-01

    In this paper, the wavelength-routed WDM network, was analyzed for the dynamic case where the arrival of anycast requests was modeled by a state-dependent Poisson process. The equilibrium analysis was also given with the UWNC algorithm.

  7. POSITIVE EQUILIBRIUM SOLUTIONS OF SEMILINEAR PARABOLIC EQUATIONS

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The author studies semilinear parabolic equations with initial and periodic boundary value conditions. In the presence of non-well-ordered sub- and super-solutions:"subsolution (≤) supersolution", the existence and stability/instability of equilibrium solutions are obtained.

  8. Separation and concentration of lanthanoids using microcapsules containing acidic organophosphorus compounds as an extractant

    Energy Technology Data Exchange (ETDEWEB)

    Kamio, Eiji; Kondo, Kazuo [Doshisha Univ., Department of Chemical Engineering and Materials Science, Kyoto (Japan)

    2002-06-01

    In this study, we measured the extraction equilibria of lanthanoids with microcapsules containing acidic organophosphorus compound as an extractant and discuss their mutual separation by using a column packed with the microcapsules. The extraction equilibria of lanthanoids into the microcapsules containing 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (EHPNA) were elucidated and the extraction equilibrium constants were calculated by slope-analysis method. It was suggested that the lanthanoid ions are extracted in the microcapsules in a high loading state. Furthermore, the adsorption behavior of lanthanoids into the column packed with the microcapsules containing EHPNA was observed. It was found that adsorption and elution of lanthanoids are briefly achieved by selecting pH of the feed aqueous solution. However, it was impossible to separate them only in adsorption or elution operation. So, the mutual separation of lanthanoids was investigated using the adsorption column connected to the development column containing microcapsules. By selecting pH of the eluent, each metal was separated mutually in more than 95% of purity. The metal ions in the eluent from the development column could be concentrated by treating it with a column packed with the microcapsules containing di(2-ethylhexyl) phosphoric acid (D2EHPA). Considering these information, it will be possible to design a continuous extracting, separating and concentrating reactor of lanthanoids using a column packed with the microcapsules. (author)

  9. Kinetic modeling of the ultrasound-assisted extraction of polyphenols from Picea abies bark.

    Science.gov (United States)

    Lazar, Liliana; Talmaciu, Adina Iulia; Volf, Irina; Popa, Valentin I

    2016-09-01

    In this paper, the kinetics of polyphenols extraction from spruce bark (Picea abies) under ultrasounds action was investigated. Studies were performed in order to express the effect of some specific parameters (as: ultrasounds, surface contact between solvent and solid, extraction time and temperature) on the total phenolic content (TPC). Experiments were performed in the presence and absence of ultrasounds, using different contact surfaces between solvent and solid, for times from 5 to 75min and temperatures of 318, 323 and 333K. All these factors have a positive influence on the process, enhancing the extraction rate by recovering higher amounts of polyphenols. The process takes place in two stages: a fast one in the first 20-30min (first stage), followed by a slow one approaching to an equilibrium concentration after 40min (second stage). In these conditions, the second-order kinetic model was successfully developed for describing the mechanism of ultrasound-assisted extraction of polyphenols from P. abies bark. Based on this model, values of second-order extraction rate constant (k), initial extraction rate (h), saturation concentration (Cs) and activation energy (Ea) could be predicted. Model validation was done by plotting experimental and predicted values of TPC's, revealing a very good correlation between the obtained data (R(2)>0.98).

  10. Liquid-Liquid Extraction Of Zinc By 3-Methyl-Quinoxaline-2-Thione From Nitrate Medium

    Directory of Open Access Journals (Sweden)

    Sanae Baki Senhaji

    2015-09-01

    Full Text Available The extraction of zinc with 3-methyl-2 (1H-quinoxalinethione LH, is investigated in nitrate solution as a function of pHrange 2-6, and analytical concentrations of NO-3 anions (CNO3 and extractant (CLH. The extraction mechanism with LH,is determined on the basis of the variation of the distribution coefficient D with pH, CNO3 and CLH. As a result, the partition equilibrium involves complexing phenomenon, ion-pair formation, and 1H+ exchange reaction. The overall extraction constants are logK01.5 = 5.1, and logK11.5 = -0.6. The extraction complexes are found to be Zn(LH2∫(NO3∫+2 and Zn(L (LH∫-1 (NO3 with l = 1 or 2. The hydrolysis reaction of Zn(II is evaluated and it is found that it results in the formation of Zn(OH+and Zn(OH2aq species, at pH >5.6. Zinc shows maximum percent extraction (75% with the pH 4.7 at low organic ligand concentration (0.01M.

  11. Synergistic extraction of Th(IV) by 2-hydroxy-1-naphthaldehyde thiosemicarbazone and neutral donors

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, S.; Basu, S. [Nuclear and Analytical Chemistry Lab., Dept. of Chemistry, The Univ. of Burdwan, Burdwan (India)

    2003-07-01

    The extraction behaviour of Th(IV) from aqueous nitric acid medium employing 2-hydroxy-1-naphthaldehyde thiosemicarbazone has been studied in the presence of various donors, like trioctyl phosphine oxide (TOPO), calix[3]OH[3]OMe[6]arene, trioctyl amine (TOA), dimethyl sulphoxide (DMSO) in ethylacetate solvent. The constants (log k{sub ex}) for the binary complex in organic phase [Th(A)(NO{sub 3}){sub 3}], where A is the ligand, was found to be 3.99, which was by far the largest amongst the corresponding values known for the other thiosemicarbazones. The overall equilibrium constants (log K) for the ternary species [Th(A)TOPO(NO{sub 3}){sub 3}], [Th(A)TOA(NO{sub 3}){sub 3}], [Th(A)Calix[3]OH[3]OMe[6]arene(NO{sub 3}){sub 3}], [Th(A)DMSO(NO{sub 3}){sub 3}] were estimated to be 8.287, 8.862, 8.415, 6.921 respectively. The trend in equilibrium constants were in accordance with the substitution of the donor. The extraction of Th{sup 4+} by the ligand-donor combination was maximum at pH = 1 and extraction decreases with increase in pH. It has been found that the extent of extraction of Th{sup 4+} in the organic phase as the binary as well as ternary complex [Th(A)(NO{sub 3}){sub 3}] and [Th(A)(NO{sub 3}){sub 3}S], where S is the donor, increases with increase in the concentration of the ligand. Similar trend is obtained in the extraction by donors in absence of ligand. In case of ternary extraction, using different donors, amines are found to perform best compared to the other donors. The trend is as follows: TOA > calix[3]OH[3]OMe[6]arene > TOPO > DMSO. In addition, the effect of different diluents on extraction was also studied and the observed trend was methyl salicylate > ethyl acetate > methyl isobutyl ketone > ethyl benzoate. (orig.)

  12. The fundamental constants and quantum electrodynamics

    CERN Document Server

    Taylor, Barry N; Langenberg, D N

    1969-01-01

    Introduction ; review of experimental data ; least-squares adjustment to obtain values of the constants without QED theory ; implications for quantum electrodynamics ; final recommended set of fundamental constants ; summary and conclusions.

  13. Temporal variation of coupling constants and nucleosynthesis

    CERN Document Server

    Oberhummer, Heinz; Fairbairn, M; Schlattl, H; Sharma, M M

    2003-01-01

    We investigate the triple-alpha process and the Oklo phenomenon to obtain constraints on possible cosmological time variations of fundamental constants. Specifically we study cosmological temporal constraints for the fine structure constant and nucleon and meson masses.

  14. Capacitive Cells for Dielectric Constant Measurement

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco

    2015-01-01

    A simple capacitive cell for dielectric constant measurement in liquids is presented. As an illustrative application, the cell is used for measuring the degradation of overheated edible oil through the evaluation of their dielectric constant.

  15. Temporal variation of coupling constants and nucleosynthesis

    Science.gov (United States)

    Oberhummer, H.; Csótó, A.; Fairbairn, M.; Schlattl, H.; Sharma, M. M.

    2003-05-01

    We investigate the triple-alpha process and the Oklo phenomenon to obtain constraints on possible cosmological time variations of fundamental constants. Specifically we study cosmological temporal constraints for the fine structure constant and nucleon and meson masses.

  16. Capacitive Cells for Dielectric Constant Measurement

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco

    2015-01-01

    A simple capacitive cell for dielectric constant measurement in liquids is presented. As an illustrative application, the cell is used for measuring the degradation of overheated edible oil through the evaluation of their dielectric constant.

  17. Thermodynamics and fluctuations far from equilibrium

    CERN Document Server

    Ross, John

    2008-01-01

    This book deals with the formulation of the thermodynamics of chemical and other systems far from equilibrium, including connections to fluctuations. It contains applications to non-equilibrium stationary states and approaches to such states, systems with multiple stationary states, stability and equi-stability conditions, reaction diffusion systems, transport properties, and electrochemical systems. The theoretical treatment is complemented by experimental results to substantiate the formulation. Dissipation and efficiency are analyzed in autonomous and externally forced reactions, including several biochemical systems.

  18. Equilibrium fluctuation energy of gyrokinetic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Krommes, J.A.; Lee, W.W.; Oberman, C.

    1985-11-01

    The thermal equilibrium electric field fluctuation energy of the gyrokinetic model of magnetized plasma is computed, and found to be smaller than the well-known result (k)/8..pi.. = 1/2T/(1 + (klambda/sub D/)/sup 2/) valid for arbitrarily magnetized plasmas. It is shown that, in a certain sense, the equilibrium electric field energy is minimum in the gyrokinetic regime. 13 refs., 2 figs.

  19. Information equilibrium as an economic principle

    OpenAIRE

    2015-01-01

    A general information equilibrium model in the case of ideal information transfer is defined and then used to derive the relationship between supply (information destination) and demand (information source) with the price as the detector of information exchange between demand and supply. We recover the properties of the traditional economic supply-demand diagram. Information equilibrium is then applied to macroeconomic problems, recovering some common macroeconomic models in particular limits...

  20. The Theory of Variances in Equilibrium Reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Zakharov, Leonid E.; Lewandowski, Jerome; Foley, Elizabeth L.; Levinton, Fred M.; Yuh, Howard Y.; Drozdov, Vladimir; McDonald, Darren

    2008-01-14

    The theory of variances of equilibrium reconstruction is presented. It complements existing practices with information regarding what kind of plasma profiles can be reconstructed, how accurately, and what remains beyond the abilities of diagnostic systems. The σ-curves, introduced by the present theory, give a quantitative assessment of quality of effectiveness of diagnostic systems in constraining equilibrium reconstructions. The theory also suggests a method for aligning the accuracy of measurements of different physical nature.

  1. OPTIMAL RESOURCE ALLOCATION IN GENERAL COURNOTCOMPETITIVE EQUILIBRIUM

    OpenAIRE

    Ervik, Inger Sommerfelt; Soegaard, Christian

    2013-01-01

    Conventional economic theory stipulates that output in Cournot competition is too low relative to that which is attained in perfect competition. We revisit this result in a General Cournot-competitive Equilibrium model with two industries that di er only in terms of productivity. We show that in general equilibrium, the more ecient industry produces too little and the less ecient industry produces too much compared to an optimal scenario with perfect competition.

  2. Lattice constant measurement from electron backscatter diffraction patterns.

    Science.gov (United States)

    Saowadee, N; Agersted, K; Bowen, J R

    2017-02-20

    Kikuchi bands in election backscattered diffraction patterns (EBSP) contain information about lattice constants of crystallographic samples that can be extracted via the Bragg equation. An advantage of lattice constant measurement from EBSPs over diffraction (XRD) is the ability to perform local analysis. In this study, lattice constants of cubic STN and cubic YSZ in the pure materials and in co-sintered composites were measured from their EBSPs acquired at 10 kV using a silicon single crystal as a calibration reference. The EBSP distortion was corrected by spherical back projection and Kikuchi band analysis was made using in-house software. The error of the lattice constant measurement was determined to be in the range of 0.09-1.12% compared to values determined by XRD and from literature. The confidence level of the method is indicated by the standard deviation of the measurement, which is approximately 0.04 Å. Studying Kikuchi band size dependence of the measurement precision shows that the measurement error decays with increasing band size (i.e. decreasing lattice constant). However, in practice, the sharpness of wide bands tends to be low due to their low intensity, thus limiting the measurement precision. Possible methods to improve measurement precision are suggested.

  3. Untangling Fixed Effects and Constant Regressors

    NARCIS (Netherlands)

    Klaassen, F.; Teulings, R.

    2015-01-01

    Fixed effects (FE) in panel data models overlap each other and prohibit the identification of the impact of "constant" regressors. Think of regressors that are constant across countries in a country-time panel with time FE. The traditional approach is to drop some FE and constant regressors by

  4. Searching for Kaprekar's constants: algorithms and results

    Directory of Open Access Journals (Sweden)

    Byron L. Walden

    2005-01-01

    Full Text Available We examine some new results on Kaprekar's constants, specifically establishing the unique 7-digit (in base 4 and 9-digit (in base 5 Kaprekar's constants and showing that there are no 15-, 21-, 27-, or 33-digit Kaprekar's constants.

  5. Untangling Fixed Effects and Constant Regressors

    NARCIS (Netherlands)

    Klaassen, F.; Teulings, R.

    2015-01-01

    Fixed effects (FE) in panel data models overlap each other and prohibit the identification of the impact of "constant" regressors. Think of regressors that are constant across countries in a country-time panel with time FE. The traditional approach is to drop some FE and constant regressors by norma

  6. Extraction mechanism of Gd{sup 3+} by BTMPPA

    Energy Technology Data Exchange (ETDEWEB)

    Bari, Md. Fazlul [School of Materials Engineering, Northern Malaysia University College of Engineering, KUKUM, Taman Muhibbah 02600, Arau, Perlis (Malaysia)]. E-mail: fazlul@kukum.edu.my; Saad, Bahruddin [School of Chemical Sciences, Universiti Sains Malaysia, 11800 Minden, Penang (Malaysia); Rahman, Ismail Abdur [School of Chemical Sciences, Universiti Sains Malaysia, 11800 Minden, Penang (Malaysia); Saleh, Muhammad Idiris [School of Chemical Sciences, Universiti Sains Malaysia, 11800 Minden, Penang (Malaysia)

    2007-06-14

    The extraction behavior of Gd(III) from acidic nitrate-acetato medium by bis(2,4,4-trimethylpentyl)phosphinic acid (BTMPPA, H{sub 2}A{sub 2}) in toluene either alone or in combination with trioctylphospine oxide (TOPO, B) has been investigated as a function of contact time, concentrations of Gd{sup 3+}, H{sup +}, NO{sub 3} {sup -} and Ac{sup -} (acetate) in the aqueous phase, the concentration of H{sub 2}A{sub 2} and TOPO in the organic phase and temperature. Dependencies of H{sup +}, BTMPPA, TOPO and Ac{sup -} concentrations on extraction ratio suggest that the extracted species are [Gd(Ac)(HA{sub 2}){sub 2}.H{sub 2}A{sub 2}] and [Gd(Ac)A{sub 2}.HA.2B] for without and with TOPO, respectively at lower loading, while GdA{sub 3} is extracted at higher loading in both cases. The synergistic effect of TOPO is observed only at higher TOPO concentrations region. The equilibrium constants are evaluated to be 10{sup -0.63} and 10{sup -2.79} for the system without and with TOPO, respectively. The La(III)/Gd(III) separation factors are found to be 348 and 393 for the system without and with TOPO, respectively. The temperature dependence of the extraction data from acidic nitrate-acetato gives the enthalpy of extraction, 56 kJ/mol. The loading capacity for 100 g BTMPPA is found to be 17.89 g Gd(III)

  7. Chemical equilibrium in high pressure molecular fluid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, M.S.

    1993-09-01

    The N{sub atoms}PT Monte Carlo simulation method has been reformulated to incorporate multiple species and chemical reactions with changes in total number of molecules. While maintaining a constant number of each type of atom, the number of molecules is changed by turning on and off the interactions of any particular position with other molecules. Chemical reactions are allowed as a correlated move of atoms to differnt molecular locations. Equilibrium chemical composition is determined as an average over the simulation along with equation of state quantities. A large set of simulations has been made with the system N{sub 2} + O{sub 2} {rightleftharpoons} NO covering a wide range in P and T. Both Hugoniot states and the CJ point have been determined and are shown to be sensitive to the potentials between unlike species.

  8. Linear irreversible heat engines based on local equilibrium assumptions

    Science.gov (United States)

    Izumida, Yuki; Okuda, Koji

    2015-08-01

    We formulate an endoreversible finite-time Carnot cycle model based on the assumptions of local equilibrium and constant energy flux, where the efficiency and the power are expressed in terms of the thermodynamic variables of the working substance. By analyzing the entropy production rate caused by the heat transfer in each isothermal process during the cycle, and using the endoreversible condition applied to the linear response regime, we identify the thermodynamic flux and force of the present system and obtain a linear relation that connects them. We calculate the efficiency at maximum power in the linear response regime by using the linear relation, which agrees with the Curzon-Ahlborn (CA) efficiency known as the upper bound in this regime. This reason is also elucidated by rewriting our model into the form of the Onsager relations, where our model turns out to satisfy the tight-coupling condition leading to the CA efficiency.

  9. Stability of equilibrium of the body with filling

    Science.gov (United States)

    Dosaev, Marat

    2014-12-01

    The motion of a four-blade axisymmetric vane with fixed point is considered in the constant flow of medium. The vane contains an axisymmetric cavity filled by viscous filling. We assumed that aerodynamic forces have an effect to rotor blades only. The filling interacts with walls of cavity by normal pressure and tangential friction force. We assumed that the tangential friction can be described by resultant couple, moment of which depends linearly on the difference between the angular velocity of body and the fluid vorticity vector. Components of vorticity vector satisfy the modified Helmholtz equations. The mathematical model of motion of mechanical system in question is constructed. Stability of the permanent rotation of vane in medium flow is studied. We consider the stability conditions for of the equilibrium of the symmetry axis. We compared these conditions with stability conditions for autorotation of a body without filling. One can observe the opposition between external aerodynamic load and internal friction.

  10. Hydration of saccharides: estimation of reaction properties and equilibrium conversion

    Energy Technology Data Exchange (ETDEWEB)

    Lobanova, O.; Mueller, K.; Mokrushina, L.; Arlt, W. [Friedrich-Alexander-University of Erlangen-Nuremberg, Chair of Separation Science and Technology, Erlangen (Germany)

    2012-04-15

    Biomass holds great promise as a renewable source of hydrogen and thus as a zero-emission, carbon-neutral, and nearly inexhaustible energy resource. Thermodynamic analysis of biomass hydration is carried out to study the reaction properties considering a series of saccharides as a model. Equilibrium constants and composition are estimated in dependence on the saccharide chain length and temperature. The latter is also studied as a function of the reactant ratios and in the presence of nonreacting additives. Being highly endothermic, the reaction is thermodynamically favorable due to a high entropic contribution. Increase in the saccharide chain length affects the conversion only slightly, so the results for low-molecular-weight saccharides can be transferred to long-chain ones. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Shadowgraph Analysis of Non-equilibrium Fluctuations for Measuring Transport Properties in Microgravity in the GRADFLEX Experiment

    Science.gov (United States)

    Croccolo, Fabrizio; Giraudet, Cédric; Bataller, Henri; Cerbino, Roberto; Vailati, Alberto

    2016-08-01

    In a fluid system driven out of equilibrium by the presence of a gradient, fluctuations become long-ranged and their intensity diverges at large spatial scales. This divergence is prevented by vertical confinement and, in a stable configuration, by gravity. Gravity and confinement also affect the dynamics of non-equilibrium fluctuations (NEFs). In fact, small wavelength fluctuations decay diffusively, while the decay of long wavelength ones is either dominated by buoyancy or by confinement. In normal gravity, from the analysis of the dynamics one can extract the diffusion coefficients as well as other transport properties. For example, in a thermodiffusion experiment one can measure the Soret coefficient. Under microgravity, the relaxation of fluctuations occurs by diffusion only and this prevents the determination of the Soret coefficient of a binary mixture from the study of the dynamics. In this work we propose an innovative self-referencing optical method for the determination of the thermal diffusion ratio of a binary mixture that does not require previous knowledge of the temperature difference applied to the sample. The method relies on the determination of the ratio between the mean squared amplitude of concentration and temperature fluctuations. We investigate data from the GRADFLEX experiment, an experiment flown onboard the Russian satellite FOTON M3 in 2007. The investigated sample is a suspension of polystyrene polymer chains (MW=9,100g/mol, concentration 1.8wt %) in toluene, stressed by different temperature gradients. The use of a quantitative shadowgraph technique allows to perform measurements in the absence of delicate alignment and calibration procedures. The statics of the concentration and temperature NEFs are obtained and their ratio is computed. At large wave vectors the ratio becomes constant and is shown to be proportional to the thermal diffusion ratio of the sample.

  12. Generalized Information Equilibrium Approaches to EEG Sleep Stage Discrimination

    Directory of Open Access Journals (Sweden)

    Todd Zorick

    2016-01-01

    Full Text Available Recent advances in neuroscience have raised the hypothesis that the underlying pattern of neuronal activation which results in electroencephalography (EEG signals is via power-law distributed neuronal avalanches, while EEG signals are nonstationary. Therefore, spectral analysis of EEG may miss many properties inherent in such signals. A complete understanding of such dynamical systems requires knowledge of the underlying nonequilibrium thermodynamics. In recent work by Fielitz and Borchardt (2011, 2014, the concept of information equilibrium (IE in information transfer processes has successfully characterized many different systems far from thermodynamic equilibrium. We utilized a publicly available database of polysomnogram EEG data from fourteen subjects with eight different one-minute tracings of sleep stage 2 and waking and an overlapping set of eleven subjects with eight different one-minute tracings of sleep stage 3. We applied principles of IE to model EEG as a system that transfers (equilibrates information from the time domain to scalp-recorded voltages. We find that waking consciousness is readily distinguished from sleep stages 2 and 3 by several differences in mean information transfer constants. Principles of IE applied to EEG may therefore prove to be useful in the study of changes in brain function more generally.

  13. Generalized Information Equilibrium Approaches to EEG Sleep Stage Discrimination

    Science.gov (United States)

    Smith, Jason

    2016-01-01

    Recent advances in neuroscience have raised the hypothesis that the underlying pattern of neuronal activation which results in electroencephalography (EEG) signals is via power-law distributed neuronal avalanches, while EEG signals are nonstationary. Therefore, spectral analysis of EEG may miss many properties inherent in such signals. A complete understanding of such dynamical systems requires knowledge of the underlying nonequilibrium thermodynamics. In recent work by Fielitz and Borchardt (2011, 2014), the concept of information equilibrium (IE) in information transfer processes has successfully characterized many different systems far from thermodynamic equilibrium. We utilized a publicly available database of polysomnogram EEG data from fourteen subjects with eight different one-minute tracings of sleep stage 2 and waking and an overlapping set of eleven subjects with eight different one-minute tracings of sleep stage 3. We applied principles of IE to model EEG as a system that transfers (equilibrates) information from the time domain to scalp-recorded voltages. We find that waking consciousness is readily distinguished from sleep stages 2 and 3 by several differences in mean information transfer constants. Principles of IE applied to EEG may therefore prove to be useful in the study of changes in brain function more generally. PMID:27516806

  14. General Equilibrium Theory with Market Frictions. Part I. Quantity Equilibrium with Rational Expectations.

    Science.gov (United States)

    1978-09-01

    general equilibrium model of an economy with market fritions. A market is said to have frictions if buyers and sellers have trouble finding each other, if it is costly for them to search for each other, and if it is costly to wait to buy or sell. Equilibrium is a stationary probability distribution over the set of possible time paths of states of the economy. This equilibrium reflects rational expectations if all agents know the stationary distribution of the variables they observe and if they exploit this information. Prices are fixed and are not necessarily equilibrium

  15. Mathematical Model of Seasonal Influenza with Treatment in Constant Population

    Science.gov (United States)

    Kharis, M.; Arifudin, R.

    2017-04-01

    Seasonal Influenza is one of disease that outbreaks periodically at least once every year. This disease caused many people hospitalized. Many hospitalized people as employers would infect production quantities, distribution time, and some economic aspects. It will infect economic growth. Infected people need treatments to reduce infection period and cure the infection. In this paper, we discussed about a mathematical model of seasonal influenza with treatment. Factually, the disease was held in short period, less than one year. Hence, we can assume that the population is constant at the disease outbreak time. In this paper, we analyzed the existence of the equilibrium points of the model and their stability. We also give some simulation to give a geometric image about the results of the analysis process.

  16. Hamiltonian formulation of surfaces with constant Gaussian curvature

    Energy Technology Data Exchange (ETDEWEB)

    Trejo, Miguel; Amar, Martine Ben; Mueller, Martin Michael [Laboratoire de Physique Statistique de l' Ecole Normale Superieure (UMR 8550), associe aux Universites Paris 6 et Paris 7 et au CNRS, 24, rue Lhomond, 75005 Paris (France)

    2009-10-23

    Dirac's method for constrained Hamiltonian systems is used to describe surfaces of constant Gaussian curvature. A geometrical free energy, for which these surfaces are equilibrium states, is introduced and interpreted as an action. An equilibrium surface can then be generated by the evolution of a closed space curve. Since the underlying action depends on second derivatives, the velocity of the curve and its conjugate momentum must be included in the set of phase-space variables. Furthermore, the action is linear in the acceleration of the curve and possesses a local symmetry-reparametrization invariance-which implies primary constraints in the canonical formalism. These constraints are incorporated into the Hamiltonian through Lagrange multiplier functions that are identified as the components of the acceleration of the curve. The formulation leads to four first-order partial differential equations, one for each canonical variable. With the appropriate choice of parametrization, only one of these equations has to be solved to obtain the surface which is swept out by the evolving space curve. To illustrate the formalism, several evolutions of pseudospherical surfaces are discussed.

  17. Use of recurrent neural networks for determination of 7-epiclusianone acidity constants in ethanol-water mixtures; Uso de redes neurais recorrentes na determinacao das constantes de acidez para a 7-epiclusianona em misturas etanol-agua

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Ederson D' Martin; Lemes, Nelson Henrique Teixeira, E-mail: nelson.lemes@unifal-mg.edu.br [Instituto de Ciencias Exatas, Universidade Federal de Alfenas, Alfenas, MG (Brazil); Santos, Marcelo Henrique dos [Instituto de Ciencias Farmaceuticas, Universidade Federal de Alfenas, Alfenas, MG (Brazil); Braga, Joao Pedro [Departamento de Quimica, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil)

    2012-07-01

    This work propose a recursive neural network to solve inverse equilibrium problem. The acidity constants of 7-epiclusianone in ethanol-water binary mixtures were determined from multiwavelength spectrophotometric data. A linear relationship between acidity constants and the % w/v of ethanol in the solvent mixture was observed. The proposed method efficiency is compared with the Simplex method, commonly used in nonlinear optimization techniques. The neural network method is simple, numerically stable and has a broad range of applicability. (author)

  18. Equilibrium and kinetic aspects of sodium cromoglycate adsorption on chitosan: mass uptake and surface charging considerations.

    Science.gov (United States)

    de Lima, C R M; Pereira, M R; Fonseca, J L C

    2013-09-01

    Chitosan has more and more been suggested as a material for use as adsorbent in the treatment of effluents as well as in the synthesis of drug-loaded nanoparticles for controlled release. In both cases, a good understanding of the process of adsorption, both kinetically and in terms of equilibrium, has an importance of its own. In this manuscript we study the interaction between sodium cromoglycate, a drug used in asthma treatment, and chitosan. Equilibrium experiments showed that Sips (or Freundlich-Langmuir) isotherm described well the resultant data and adsorption possibly occurred as in multilayers. A model based on ordinary reaction-rate theory, compounded of two processes, each one with a correlated velocity constant, described the kinetics of sorption. Kinetic and equilibrium data suggested the possibility of surface rearrangement, favored by the increase of temperature.

  19. Binding equilibrium of I~- to serum albumin with resonance Rayleigh scattering

    Institute of Scientific and Technical Information of China (English)

    梁宏; 沈星灿; 蒋治良; 何锡文; 申泮文

    2000-01-01

    The binding equilibrium between l- and human serum albumin (HSA) or bovine serum albumin (BSA) has been studied by means of the resonance Rayleigh scattering (RRS) and equilibrium dialysis. It has been found for the first time that RRS and multiple frequency scattering (MFS) are enhanced as the l- binding to the HSA and BSA, but fluorescence quenches. The equilibrium dialysis results suggest that the binding of l- to HSA and BSA fits a phase-distribution model other than Scsitchard model, and that the order of magnitude of its phase-distribution constant was found to be 104. It is most probable that Cl~ or other anion ions influence the binding of P by changing the ionic strength in the solution. The dialysis at different pH indicates that the binding mechanism is due to the electrostatic forces between the T-and protonated basic amino-acid residues.

  20. Solvent extraction of nitric acid,uranium(VI) and thorium(IV) by N,N,N',N'-tetrahexylsuccinylamide

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    A new kind of diamideN,N,N',N'-tetrahexylsuccinylamide (THSA)wassynthesized,characterized and used for the extraction of HNO3,U(VI) and Th(IV)in a diluent composed of 0.5 volume fraction1,2,4-trimethy benzene(TMB) and 0.5 volume fraction kerosene(OK).Extraction distribution coefficients of U(VI) and Th(IV) as functionsof aqueous nitric acid concentration, extractant concentration,temperature and salting-out agent (LiNO3) have been studied, and it is found that THSA as an extractant is superior to TBP for extraction ofU(VI) and Th(IV).Back extraction was also studied.At low acidity, themain adduct of THSA and HNO3 is HNO3.THSA.THSA.(HNO3)2 and THSA.(HNO3)3 are also found at high acidity.The compositions of extracted species, apparent equilibrium constants and enthalpies ofextraction reactions have also been calculated.

  1. Measurements of non-equilibrium and equilibrium temperature behind a strong shock wave in simulated martian atmosphere

    Institute of Scientific and Technical Information of China (English)

    Xin Lin; Xi-Long Yu; Fei Li; Shao-Hua Zhang; Jian-Guo Xin; Xin-Yu Zhang

    2012-01-01

    Non-equilibrium radiation measurements behind strong shock wave for simulated Martian atmosphere are presented in this paper.The shock wave is established in a hydrogen oxygen combustion driven shock tube.Time-resolved spectra of the △v =0 sequence of the B2Σ+ → X2Σ+ electronic transition of CN have been observed through optical emission spectroscopy (OES).A new method,which is based on fitting high resolution spectrum for rotational and vibrational temperatures measurement,is proposed to diagnose temperature distribution behind the shock wave.It is estimated that the current scheme has the maximum deviation less than 8% (1σ) for vibrational temperature measurement through detailed analysis of the influence of the uncertainties of spectroscopic constants and spectral resolution.Radiation structure of the shock layer,including induction,relaxation and equilibrium process,and corresponding rotational and vibrational temperatures are obtained through time gating OES diagnostics with sub-microsecond temporal resolution.The present extensive results will strongly benefit the reaction rate estimation and computational fluid dynamics (CFD)code validation in high enthalpy Mars reentry chemistry.

  2. Non-Equilibrium Transitions of Heliospheric plasma

    Science.gov (United States)

    Livadiotis, G.; McComas, D. J.

    2011-12-01

    Recent advances in Space Physics theory have established the connection between non-extensive Statistical Mechanics and space plasmas by providing a theoretical basis for the empirically derived kappa distributions commonly used to describe the phase space distribution functions of these systems [1]. The non-equilibrium temperature and the kappa index that govern these distributions are the two independent controlling parameters of non-equilibrium systems [1-3]. The significance of the kappa index is primarily given by its role in identifying the non-equilibrium stationary states, and measuring their "thermodynamic distance" from thermal equilibrium [4], while its physical meaning is connected to the correlation between the system's particles [5]. For example, analysis of the IBEX high Energetic Neutral Atom spectra [6] showed that the vast majority of measured kappa indices are between ~1.5 and ~2.5, consistent with the far-equilibrium "cavity" of minimum entropy discovered by Livadiotis & McComas [2]. Spontaneous procedures that can increase the entropy, move the system gradually toward equilibrium, that is the state with the maximum (infinite) kappa index. Other external factors that may decrease the entropy, move the system back to states further from equilibrium where the kappa indices are smaller. Newly formed pick-up ions can play this critical role in the solar wind and other space plasmas. We have analytically shown that their highly ordered motion can reduce the average entropy in the plasma beyond the termination shock, inside the inner heliosheath [7]. Non-equilibrium transitions have a key role in understanding the governing thermodynamical processes of space plasmas. References 1. Livadiotis, G., & McComas, D. J. 2009, JGR, 114, 11105. 2. Livadiotis, G., & McComas, D. J. 2010a, ApJ, 714, 971. 3. Livadiotis, G., & McComas, D. J. 2010c, in AIP Conf. Proc. 9, Pickup Ions Throughout the Heliosphere and Beyond, ed. J. LeRoux, V. Florinski, G. P. Zank, & A

  3. Aerospace Applications of Non-Equilibrium Plasma

    Science.gov (United States)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  4. A Calculation Approach to Elastic Constants of Crystallines at High Pressure and Finite Temperature

    Institute of Scientific and Technical Information of China (English)

    向士凯; 蔡灵仓; 张林; 经福谦

    2002-01-01

    Elastic constants of Na and Li metals are calculated successfully for temperatures up to 350K and pressures up to 30 GPa using a scheme without involving any adjustable parameter. Elastic constants are assumed to depend only on an effective pair potential that is only determined by the average interatomic distance. Temperature has an effect on elastic constants by way of charging the equilibrium. The elastic constants can be obtained by fitting the relationship between total energy and strain tensor using the new set of lattice parameters obtained by calculating displacement of atoms at the finite temperature and at a fixed pressure. The relationship between the effective pair potential and the interatomic distance is fitted by using a series of data of cohesive energy corresponding to lattice parameters.

  5. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

    Energy Technology Data Exchange (ETDEWEB)

    Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de [Fakultät Mathematik und Naturwissenschaften, Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal (Germany); Yachmenev, Andrey; Yurchenko, Sergei N. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2015-12-28

    We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in very good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.

  6. Development and validation of an equilibrium model for struvite formation with calcium co-precipitation

    Science.gov (United States)

    Lee, Sang-Hun; Yoo, Byeoung-Hak; Lim, Seung Joo; Kim, Tak-Hyun; Kim, Sun-Kyoung; Kim, Jun Young

    2013-06-01

    This study developed an equilibrium model to predict the P recovery and struvite amounts by newly incorporating two separate equilibrium constants on the struvite formation with HPO42- and PO43-, as well as free ammonium (NH4+), phosphate (PO4), magnesium (Mg2+), and calcium (Ca2+) ion species. The equilibrium struvite reaction and its solubility constant with HPO42- species was verified by deriving a reasonable correlation between solution pH and the conditional solubility products that were obtained from the equilibrium reaction. Also, based on the Visual MINTEQ software program, the potentially precipitated Ca phosphates and struvite precipitates were selected, and these compounds were utilized as target precipitants for the modeling to simulate P recovery and struvite formation under the competitive inhibition of Ca ions. The resultant simulated P recovery data were validated by experimental data with synthetic wastewater. The model data showed good agreement with the experimental results (R2>95%). The model also confirmed that the purity of struvite in the precipitate and the pH that maximizes the struvite fraction are dependent on the initial concentrations of NH4+, Mg2+, and PO4. Because only PO43-, not HPO42-, was regarded in Ca precipitation, Ca phosphate precipitation was underestimated as compared with the experimental results.

  7. Molecular dynamical studies of the dissociation of a diatomic molecular crystal. II. Equilibrium kinetics

    Science.gov (United States)

    Trevino, S. F.; Tsai, D. H.

    1984-07-01

    The properties of a molecular dynamical model undergoing equilibrium chemical reactions are reported. It is shown that the kinetics of the modeled reaction is consistent with established thermodynamic considerations. Further, at constant pressure, the relation between the Arrhenius energy of reaction ΔE, the potential energy change upon dissociation Δɛ, and the work done due to the volume change PΔV, viz, -ΔE=-(Δɛ+PΔV), is satisfied.

  8. A numerical method for solving equilibrium problems of no-tension solids subject to thermal loads

    OpenAIRE

    Padovani, Cristina; Pasquinelli, Giuseppe; Zani, Nicola

    1996-01-01

    The paper starts out by recalling a constitutive equation of no-tension materiate that accounts for thermal dilatation and the temperature dependence of the material constants. Subsequently, a numerical method is presented for solving, via the finite element method, equilibrium problems of no-tension solids subjected to thermal loads. Finally, three examples are solved and discussed: a spherical container subjected to two uniform radiai pressures and a steady temperature distribution, a mason...

  9. Equilibrium Transitions from Non Renewable Energy to Renewable Energy under Capacity Constraints

    OpenAIRE

    Amigues, Jean-Pierre; Ayong Le Kama, Alain; Moreaux, Michel

    2013-01-01

    We study the transition between non renewable and renewable energy sources with adjustment costs over the production capacity of renewable energy. Assuming constant variable marginal costs for both energy sources, convex adjustment costs and a more expensive renewable energy, we show the following. With sufficiently abundant non renewable energy endowments, the dynamic equilibrium path is composed of a first time phase of only non renewable energy use followed by a transition phase substituti...

  10. Equilibrium transitions from non-renewable energy to renewable energy under capacity constraints

    OpenAIRE

    Amigues, Jean-Pierre; Ayong Le Kama, Alain; Moreaux, Michel

    2015-01-01

    We study the transition between non-renewable and renewable energy sources with adjustment costs over the production capacity of renewable energy. Assuming constant variable marginal costs for both energy sources, convex adjustment costs and a more expensive renewable energy, we show the following. With sufficiently abundant non-renewable energy endowments, the dynamic equilibrium path is composed of a first time phase of only non-renewable energy use followed by a transition phase substituti...

  11. Elastic Constants and Its Pressure Derivative of Boron Phosphide Using Higher-Order Perturbation Theory

    Directory of Open Access Journals (Sweden)

    A.R. Jivani

    2011-01-01

    Full Text Available The elastic constants, pressure derivative of bulk modulus and pressure derivative of elastic constants are investigated using the higher-order perturbation theory based on pseudopotential formalism and the application of our proposed model potential for Boron Phosphide. The parameter of the potential is derived using zero-pressure equilibrium condition. In the present study, Hartree and Sarkar et al screening functions are used to consider exchange and correlation effect. The good agreement of presently investigated numerical data is found with the available experiment data and other such theoretical values.

  12. Global behaviour of a predator-prey like model with piecewise constant arguments.

    Science.gov (United States)

    Kartal, Senol; Gurcan, Fuat

    2015-01-01

    The present study deals with the analysis of a predator-prey like model consisting of system of differential equations with piecewise constant arguments. A solution of the system with piecewise constant arguments leads to a system of difference equations which is examined to study boundedness, local and global asymptotic behaviour of the positive solutions. Using Schur-Cohn criterion and a Lyapunov function, we derive sufficient conditions under which the positive equilibrium point is local and global asymptotically stable. Moreover, we show numerically that periodic solutions arise as a consequence of Neimark-Sacker bifurcation of a limit cycle.

  13. Thermodynamics and geometrothermodynamics of Born-Infeld black holes with cosmological constant

    Science.gov (United States)

    Quevedo, Hernando; Quevedo, María N.; Sánchez, Alberto

    2015-08-01

    In this paper, we investigate a class of spherically symmetric Born-Infeld black holes which contains the mass, electric charge, Born-Infeld parameter and the cosmological constant as physical parameters. We show that for the mass to be an extensive thermodynamic variable, it is necessary to consider the cosmological constant and the Born-Infeld parameter as thermodynamic variables as well. We analyze the properties of such a thermodynamic system, explore the range of values where the system is thermodynamically well-defined, and the phase transition structure. In addition, we show that the equilibrium manifold in the context of geometrothermodynamics reproduces correctly the thermodynamic properties of this black hole class.

  14. New Method for the Determination of Ionization Constants of Polyprotic Weak Acid

    Institute of Scientific and Technical Information of China (English)

    王静康; 郝红勋

    2003-01-01

    A new method for the determination of ionization constants of polyprotic weak acids is presented.Based on dissociation equilibrium, mass balance and charge balance, the mathematic model is established and the non-linear least-squares Gauss-Newton method is applied to numerically solve the model equations. In order to get the concentration of hydrogen ion, the Debye-Huckel equation is used to calculate its activity coefficient. The ionization constants of H2SO3 and H2C2O4 obtained by this method are in good agreement with the literature values.

  15. Development of an automated batch-type solid-liquid extraction apparatus and extraction of Zr, Hf, and Th by triisooctylamine from HCl solutions for chemistry of element 104, Rf

    Energy Technology Data Exchange (ETDEWEB)

    Kasamatsu, Yoshitaka; Kino, Aiko; Yokokita, Takuya [Osaka Univ. (Japan). Graduate School of Science; and others

    2015-07-01

    Solid-liquid extraction of the group 4 elements Zr and Hf, which are homologues of Rf (Z = 104), and Th, a pseudo homologue, by triisooctylamine (TIOA) from HCl solutions was performed by batch method. After examining the time required to reach extraction equilibrium for these elements in various concentrations of TIOA and HCl, we investigated in detail variations in the distribution coefficients (K{sub d}) with TIOA and HCl concentrations. The K{sub d} values of Zr and Hf increased with increasing the HCl and TIOA concentrations, suggesting an increase in the abundance of the anionic chloride complexes of Zr and Hf. On the other hand, the K{sub d} values of Th were low in all the HCl concentrations studied, implying that Th does not form anionic species dominantly. We developed a new automated batch-type solid-liquid extraction apparatus for repetitive experiments on transactinide elements. Using this apparatus, we performed solid-liquid extraction employing the radioactive nuclides {sup 89m}Zr and {sup 175}Hf produced by nuclear reactions and transported continuously from the nuclear reaction chamber by the He/KCl gas-jet system. It was found that the distribution behaviors in 7-11 M HCl are almost constant in the time range 10-120 s, and the K{sub d} values are consistent with those obtained in the above manual experiment. This result suggests that the chemical reactions in the extraction process reach equilibrium within 10 s for Zr and Hf under the present experimental conditions. It took about 35 s for the extraction using the apparatus. These results indicate the applicability of the present extraction using the developed apparatus to {sup 261}Rf (T{sub 1/2} = 68 s) experiments.

  16. Communication: Microphase equilibrium and assembly dynamics

    Science.gov (United States)

    Zhuang, Yuan; Charbonneau, Patrick

    2017-09-01

    Despite many attempts, ordered equilibrium microphases have yet to be obtained in experimental colloidal suspensions. The recent computation of the equilibrium phase diagram of a microscopic, particle-based microphase former [Zhuang et al., Phys. Rev. Lett. 116, 098301 (2016)] has nonetheless found such mesoscale assemblies to be thermodynamically stable. Here, we consider their equilibrium and assembly dynamics. At intermediate densities above the order-disorder transition, we identify four different dynamical regimes and the structural changes that underlie the dynamical crossovers from one disordered regime to the next. Below the order-disorder transition, we also find that periodic lamellae are the most dynamically accessible of the periodic microphases. Our analysis thus offers a comprehensive view of the dynamics of disordered microphases and a route to the assembly of periodic microphases in a putative well-controlled, experimental system.

  17. Regret Theory and Equilibrium Asset Prices

    Directory of Open Access Journals (Sweden)

    Jiliang Sheng

    2014-01-01

    Full Text Available Regret theory is a behavioral approach to decision making under uncertainty. In this paper we assume that there are two representative investors in a frictionless market, a representative active investor who selects his optimal portfolio based on regret theory and a representative passive investor who invests only in the benchmark portfolio. In a partial equilibrium setting, the objective of the representative active investor is modeled as minimization of the regret about final wealth relative to the benchmark portfolio. In equilibrium this optimal strategy gives rise to a behavioral asset priciting model. We show that the market beta and the benchmark beta that is related to the investor’s regret are the determinants of equilibrium asset prices. We also extend our model to a market with multibenchmark portfolios. Empirical tests using stock price data from Shanghai Stock Exchange show strong support to the asset pricing model based on regret theory.

  18. Relativistic perfect fluids in local thermal equilibrium

    CERN Document Server

    Coll, Bartolomé; Sáez, Juan Antonio

    2016-01-01

    The inverse problem for conservative perfect fluid energy tensors provides a striking result. Namely that, in spite of its name, its historic origin or its usual conceptualization, the notion of {\\em local thermal equilibrium} for a perfect fluid is a {\\em purely hydrodynamic}, not thermodynamic, notion. This means that it may be thought, defined and detected using exclusively hydrodynamic quantities, without reference to temperature or any other thermodynamic concept, either of equilibrium or irreversible: a relativistic perfect fluid evolves in local thermal equilibrium if, and only if, its hydrodynamic variables evolve keeping a certain relation among them. This relation fixes, but only fixes, a precise fraction of the thermodynamics of the fluid, namely that relating the speed of its sound waves to the hydrodynamic variables. All thermodynamic schemes (sets of thermodynamic variables and their mutual relations) compatible with such a relation on the sole hydrodynamic variables are obtained. This hydrodyna...

  19. Non-equilibrium quantum heat machines

    Science.gov (United States)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-11-01

    Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

  20. Non-Equilibrium Thermodynamics in Multiphase Flows

    CERN Document Server

    Mauri, Roberto

    2013-01-01

    Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...