Science.gov

Sample records for equilibrium phase experimental

  1. Non-equilibrium phase transitions

    SciTech Connect

    Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

    1998-12-31

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken.

  2. Hierarchical condensation near phase equilibrium

    NASA Astrophysics Data System (ADS)

    Olemskoi, A. I.; Yushchenko, O. V.; Borisyuk, V. N.; Zhilenko, T. I.; Kosminska, Yu. O.; Perekrestov, V. I.

    2012-06-01

    A novel mechanism of new phase formation is studied both experimentally and theoretically in the example of quasi-equilibrium stationary condensation in an ion-plasma sputterer. Copper condensates are obtained to demonstrate that a specific network structure is formed as a result of self-assembly in the course of deposition. The fractal pattern related is inherent in the phenomena of diffusion limited aggregation. Condensate nuclei are shown to form statistical ensemble of hierarchically subordinated objects distributed in ultrametric space. The Langevin equation and the Fokker-Planck equation related are found to describe stationary distribution of thermodynamic potential variations at condensation. Time dependence of the formation probability of branching structures is found to clarify the experimental situation.

  3. Phase coexistence far from equilibrium

    NASA Astrophysics Data System (ADS)

    Dickman, Ronald

    2016-04-01

    Investigation of simple far-from-equilibrium systems exhibiting phase separation leads to the conclusion that phase coexistence is not well defined in this context. This is because the properties of the coexisting nonequilibrium systems depend on how they are placed in contact, as verified in the driven lattice gas with attractive interactions, and in the two-temperature lattice gas, under (a) weak global exchange between uniform systems, and (b) phase-separated (nonuniform) systems. Thus, far from equilibrium, the notions of universality of phase coexistence (i.e., independence of how systems exchange particles and/or energy), and of phases with intrinsic properties (independent of their environment) are lost.

  4. A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations

    NASA Astrophysics Data System (ADS)

    Vogt, Natalja; Khaikin, Leonid S.; Grikina, Olga E.; Rykov, Anatolii N.

    2013-10-01

    The equilibrium structure of uracil, one of the nucleobases, which build nucleic acids, has been determined for the first time by the gas-phase electron diffraction (GED) method. The necessary rovibrational corrections to the experimental internuclear distances have been calculated with quadratic and cubic force constants in the MP2(all)/cc-pVTZ approximation. For the first time, the equilibrium structure has been optimized by the very time-consuming coupled-cluster method with single and double excitations and perturbative treatment of connected triples using the correlation-consistent polarized weighted core-valence triple-zeta basis set with all electrons being correlated (CCSD(T)(all)/cc-pwCVTZ). The optimized structural parameters have been corrected for the diffuse-function effects and extrapolated to the higher basis set (cc-pwCVQZ) using results of MP2 computations (named as best ab initio structure). The GED equilibrium structure remarkably agrees with the best ab initio one as well as with that one derived from microwave (MW) rotational constants by Puzzarini and Barone. Thus, it has been revealed that the precise experiment and coupled-cluster calculations yield the same results when accurate vibrational corrections (including anharmonic ones) are considered in the experimental structural analysis. Moreover, it has been shown that the equilibrium structure derived from the GED data, being in general of one order less accurate than that determined from the MW rotational constants, is still reliable and accurate.

  5. The α +ɛ Two-Phase Equilibrium in the Fe-N-C System: Experimental Investigations and Thermodynamic Calculations

    NASA Astrophysics Data System (ADS)

    Göhring, Holger; Leineweber, Andreas; Mittemeijer, Eric Jan

    2016-09-01

    The present work is dedicated to investigating the occurrence of the α +ɛ equilibrium at temperatures typically applied for nitrocarburizing treatments. To this end, pearlitic Fe-C specimens were treated between 823 K and 863 K (550 °C and 590 °C) in gaseous nitriding and gaseous nitrocarburizing atmospheres, allowing control of the chemical potentials of N and C. Subsequently, the resulting compound-layer microstructures were investigated using light microscopy and X-ray diffraction. Thermodynamic calculations, adopting several models for the Fe-N-C system from the literature, were performed, showing significantly different predictions for both the sequence of the invariant reactions and their temperatures. Comparison of the experimental data and the theoretical calculations led to the conclusion that none of the models from the literature is able to realistically describe the experimentally observed constitution in the Fe-N-C system in the considered temperature range. Values/value ranges for the temperatures of the invariant reactions were obtained.

  6. Non-equilibrium phases and phase diagrams

    SciTech Connect

    Massalski, T.B.; Rizzo, H.F.

    1988-03-01

    In this paper we consider the degree of usefulness of the phase diagram and the related thermodynamics in predicting and understanding the formation of metastable phases during quenching, or during low-temperature solid-state interdiffusion, or during co-deposition. Recent research has demonstrated that many of such metastable phases are formed because the more stable intermediate phases that are favored thermodynamically are nevertheless bypassed kinetically. The kinetic elimination of intermediate phases provides conditions where a metastable equilibrium can be established at low temperatures between the supercooled liquid and the terminal solid solutions, leading to metastable partitioned two-phase regions. Alternatively, the range of the metastable phases may be governed by the T/sub 0/ principle related to the crossover of the respective free energy curves, or may be controlled mainly by kinetic considerations. Which particular thermodynamic conditions apply appears to depend on the initial form of the phase diagram and the specific technique used. The occurrence of massive transformations also is discussed. 34 refs., 10 figs.

  7. Phase Equilibrium Investigations of Planetary Materials

    NASA Technical Reports Server (NTRS)

    Grove, T. L.

    2005-01-01

    This grant provided funds to carry out phase equilibrium studies on the processes of chemical differentiation of the moon and the meteorite parent bodies, during their early evolutionary history. Several experimental studies examined processes that led to the formation of lunar ultramafic glasses. Phase equilibrium studies were carried out on selected low-Ti and high-Ti lunar ultramafic glass compositions to provide constraints on the depth range, temperature and processes of melt generation and/or assimilation. A second set of experiments examined the role of sulfide melts in core formation processes in the earth and terrestrial planets. The major results of each paper are discussed, and copies of the papers are attached as Appendix I.

  8. Thermodynamics of phase equilibrium of binary alloys containing nanprecipitates

    NASA Astrophysics Data System (ADS)

    L'vov, P. E.; Svetukhin, V. V.; Obukhov, A. V.

    2011-02-01

    A model of phase equilibrium in binary alloys has been developed taking into account the formation of phase precipitates of arbitrary (including nanometer) size. It has been shown that the phase composition of alloys substantially depends on the size of phase precipitates and, in the case of the formation of nano-precipitates, the phase composition can differ by a factor of several times from the phase composition of macroscopic precipitates. The proposed model has been used for calculating the dependence of the phase composition of some binary alloys (α-Fe-Cr at the temperature T = 773 K and Zr-Nb at the temperature T = 853-873 K) on the size of precipitates. The results of the calculation agree with experimental data obtained by other authors.

  9. Equilibrium crystal phases of triblock Janus colloids.

    PubMed

    Reinhart, Wesley F; Panagiotopoulos, Athanassios Z

    2016-09-01

    Triblock Janus colloids, which are colloidal spheres decorated with attractive patches at each pole, have recently generated significant interest as potential building blocks for functional materials. Their inherent anisotropy is known to induce self-assembly into open structures at moderate temperatures and pressures, where they are stabilized over close-packed crystals by entropic effects. We present a numerical investigation of the equilibrium phases of triblock Janus particles with many different patch geometries in three dimensions, using Monte Carlo simulations combined with free energy calculations. In all cases, we find that the free energy difference between crystal polymorphs is less than 0.2 kBT per particle. By varying the patch fraction and interaction range, we show that large patches stabilize the formation of structures with four bonds per patch over those with three. This transition occurs abruptly above a patch fraction of 0.30 and has a strong dependence on the interaction range. Furthermore, we find that a short interaction range favors four bonds per patch, with longer range increasingly stabilizing structures with only three bonds per patch. By quantifying the effect of patch geometry on the stability of the equilibrium crystal structures, we provide insights into the fundamental design rules for constructing complex colloidal crystals. PMID:27609002

  10. Experimental studies in non-equilibrium physics

    NASA Astrophysics Data System (ADS)

    Cressman, John Robert, Jr.

    This work is a collection of three experiments aimed at studying different facets of non-equilibrium dynamics. Chapter I concerns strongly compressible turbulence, which turns out to be very different from incompressible turbulence. The focus is on the dispersion of contaminants in such a flow. This type of turbulence can be studied, at very low mach number, by measuring the velocity fields of particles that float on a turbulently stirred body of water. It turns out that in the absence of incompressibility, the turbulence causes particles to cluster rather than to disperse. The implications of the observations are far reaching and include the transport of pollutants on the oceans surface, phytoplankton growth, as well as industrial applications. Chapter II deals with the effects of polymer additives on drag reduction and turbulent suppression, a well-known phenomenon that is not yet understood. In an attempt to simplify the problem, the effects of a polymer additive were investigated in a vortex street formed in a flowing soap film. Measurements suggest that an increase in elongational viscosity is responsible for a substantial reduction in periodic velocity fluctuations. This study also helps to illuminate the mechanism responsible for vortex separation in the wake of a bluff body. Chapter III describes an experiment designed to test a theoretical approach aimed at generalizing the classical fluctuation dissipation theorem (FDT). This theorem applies to systems driven only slightly away from thermal equilibrium, whereas ours, a liquid crystal under-going electroconvection, is so strongly driven, that the FDT does not apply. Both theory and experiment focus on the flux in global power fluctuations. Physical limitations did not permit a direct test of the theory, however it was possible to establish several interesting characteristics of the system: the source of the fluctuations is the transient defect structures that are generated when the system is driven hard

  11. Near-equilibrium polymorphic phase transformations in Praseodymium under dynamic compression

    SciTech Connect

    Bastea, M; Reisman, D

    2007-02-12

    We report the first experimental observation of sequential, multiple polymorphic phase transformations occurring in Praseodymium dynamically compressed using a ramp wave. The experiments also display the signatures of reverse transformations occuring upon pressure release and reveal the presence of small hysteresys loops. The results are in very good agreement with equilibrium hydrodynamic calculations performed using a thermodynamically consistent, multi-phase equation of state for Praseodymium, suggesting a near-equilibrium transformation behavior.

  12. Equilibrium-like phase transition of a dynamic system

    NASA Astrophysics Data System (ADS)

    Han, Ming; Yan, Jing; Granick, Steve; Luijten, Erik

    2014-03-01

    Dynamic systems are considered to be intrinsically different from systems in thermal equilibrium. Despite this fundamental dichotomy, here we demonstrate that a non-equilibrium, fully dynamical system can display behavior that constitutes a complete analogy to thermal equilibrium phase behavior. This dynamical system, consisting of Janus colloids strongly controlled by external fields and over-damped by a viscous solvent, phase separates like a binary fluid mixture, with a coexistence curve separating mixed and demixed regimes and a critical point that we demonstrate to belong to the 2D Ising universality class. Within the coexistence curve, we locate the spinodal curve that separates spinodal decomposition from nucleation and growth.

  13. Experimental approaches for studying non-equilibrium atmospheric plasma jets

    NASA Astrophysics Data System (ADS)

    Shashurin, A.; Keidar, M.

    2015-12-01

    This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

  14. Experimental approaches for studying non-equilibrium atmospheric plasma jets

    SciTech Connect

    Shashurin, A.; Keidar, M.

    2015-12-15

    This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

  15. Non-equilibrium phase transitions in a liquid crystal

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2015-09-01

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  16. A Computationally Efficient Algorithm for Aerosol Phase Equilibrium

    SciTech Connect

    Zaveri, Rahul A.; Easter, Richard C.; Peters, Len K.; Wexler, Anthony S.

    2004-10-04

    Three-dimensional models of atmospheric inorganic aerosols need an accurate yet computationally efficient thermodynamic module that is repeatedly used to compute internal aerosol phase state equilibrium. In this paper, we describe the development and evaluation of a computationally efficient numerical solver called MESA (Multicomponent Equilibrium Solver for Aerosols). The unique formulation of MESA allows iteration of all the equilibrium equations simultaneously while maintaining overall mass conservation and electroneutrality in both the solid and liquid phases. MESA is unconditionally stable, shows robust convergence, and typically requires only 10 to 20 single-level iterations (where all activity coefficients and aerosol water content are updated) per internal aerosol phase equilibrium calculation. Accuracy of MESA is comparable to that of the highly accurate Aerosol Inorganics Model (AIM), which uses a rigorous Gibbs free energy minimization approach. Performance evaluation will be presented for a number of complex multicomponent mixtures commonly found in urban and marine tropospheric aerosols.

  17. Experimental Determination of Equilibrium and Non-equilibrium Thermodynamic Propertiesof Natural Porous Media.

    NASA Astrophysics Data System (ADS)

    Peluso, F.; Arienzo, I.

    Experimental investigation of the behavior of porous media is a field of interest of modern non-equilibrium thermodynamics. In the frame of a multi-disciplinary re- search project we are performing in our laboratory experimental tests to measure equilibrium and nonequilibrium thermodynamic properties of natural porous media. Aim of our study is to characterize some stone samples and to verify whether a mass transport due to coupled pressure and temperature gradients (thermo-mechanic) is ap- preciable in this kind of porous medium. We have designed an apparatus that allows to measure the volume flux across a porous sample at various, predefined pressures and temperatures, both in isothermal and non isothermal conditions. A mechanical piston compels a liquid to flow through the sample, previously saturated under vacuum with the same fluid. Knowing the geometrical dimensions of the stone, the volume flux is estimated by measuring the time needed to a known amount of liquid to flow across the sample. Measurements have been performed in isothermal conditions at various temperatures and in non-isothermal conditions. Non-isothermal measurements have been performed both in unsteady and steady-state thermal conditions. Before to be undergone to a measurement cycle, samples are dried and weighted. Then they are sat- urated under vacuum with pure distilled water and weighted once again. By difference between the two measurements, porosity is determined. In all examined samples the volume flux has been found linear with respect to the applied pressure at the various temperatures. The values of volume flux in unsteady thermal conditions are consid- erably higher than the one obtained at the same pressure in isothermal conditions at the higher temperature (T=+45rC). This could be the evidence of a thermo-mechanic effect, pushing the water from hot to cold. Once the steady thermal state is reached, however, this effect disappears. Only measurements performed in unsteady thermal

  18. Equilibrium and non-equilibrium cluster phases in colloids with competing interactions.

    PubMed

    Mani, Ethayaraja; Lechner, Wolfgang; Kegel, Willem K; Bolhuis, Peter G

    2014-07-01

    The phase behavior of colloids that interact via competing interactions - short-range attraction and long-range repulsion - is studied by computer simulation. In particular, for a fixed strength and range of repulsion, the effect of the strength of an attractive interaction (ε) on the phase behavior is investigated at various colloid densities (ρ). A thermodynamically stable equilibrium colloidal cluster phase, consisting of compact crystalline clusters, is found below the fluid-solid coexistence line in the ε-ρ parameter space. The mean cluster size is found to linearly increase with the colloid density. At large ε and low densities, and at small ε and high densities, a non-equilibrium cluster phase, consisting of elongated Bernal spiral-like clusters, is observed. Although gelation can be induced either by increasing ε at constant density or vice versa, the gelation mechanism is different in either route. While in the ρ route gelation occurs via a glass transition of compact clusters, gelation in the ε route is characterized by percolation of elongated clusters. This study both provides the location of equilibrium and non-equilibrium cluster phases with respect to the fluid-solid coexistence, and reveals the dependencies of the gelation mechanism on the preparation route. PMID:24824226

  19. Phase Equilibrium Investigations of Planetary Materials

    NASA Technical Reports Server (NTRS)

    Grove, T. L.

    1997-01-01

    This grant provided funds to carry out experimental studies designed to illuminate the conditions of melting and chemical differentiation that has occurred in planetary interiors. Studies focused on the conditions of mare basalt generation in the moon's interior and on processes that led to core formation in the Shergottite Parent Body (Mars). Studies also examined physical processes that could lead to the segregation of metal-rich sulfide melts in an olivine-rich solid matrix. The major results of each paper are discussed below and copies of the papers are attached as Appendix I.

  20. Microrheology close to an equilibrium phase transition

    SciTech Connect

    Reinhardt, J.; Scacchi, A.; Brader, J. M.

    2014-04-14

    We investigate the microstructural and microrheological response to a tracer particle of a two-dimensional colloidal suspension under thermodynamic conditions close to a liquid-gas phase boundary. On the liquid side of the binodal, increasing the velocity of the (repulsive) tracer leads to the development of a pronounced cavitation bubble, within which the concentration of colloidal particles is strongly depleted. The tendency of the liquid to cavitate is characterized by a dimensionless “colloidal cavitation” number. On the gas side of the binodal, a pulled (attractive) tracer leaves behind it an extended trail of colloidal liquid, arising from downstream advection of a wetting layer on its surface. For both situations the velocity dependent friction is calculated.

  1. Effect of organic matters on CO2 hydrate phase equilibrium conditions in Na-montmorillonite clay

    NASA Astrophysics Data System (ADS)

    Park, T.; Kyung, D.; Lee, W.

    2013-12-01

    Formation of gas hydrates provides an attractive idea for storing greenhouse gases in a long-term stable geological formation. Since the phase equilibrium conditions of gas hydrates indicate the stability of hydrates, estimation of the phase equilibrium conditions of gas hydrates in marine geological conditions is necessary. In this study, we have identified the effects of organic matters (glycine, glucose, and urea) and solid surface (montmorillonite (MMT)) on the three-phase (liquid-hydrate-vapor) equilibrium conditions of CO2 hydrate. CO2 phase equilibrium experiments were conducted using 0.5mol% organic matter solutions with and without 10g soil mineral were experimentally conducted. Addition of organic matters shifted the phase equilibrium conditions of CO2 hydrate to the higher pressure or lower pressure region because of higher competition of water molecules due to the dissolved organic matters. Presence of MMT also leaded to the higher equilibrium pressure due to the interaction of cations with water molecules. By addition of organic matters to the clay suspension, the hydrate phase equilibrium conditions were less inhibited compared to those of MMT and organic matters independently. The diminished magnitudes by addition of organic matters to the clay suspension (MMT > MMT+urea > MMT+glycine > MMT+glucose > DIW) were different to the order of inhibition degree without MMT (Glucose > glycine > urea > DIW). X-ray diffraction (XRD), scanning electron microscope (SEM), and ion chromatography (IC) analysis were conducted to support the hypothesis that the organic matters interact with cations in MMT interlayer space, and leads to the less inhibition of phase equilibrium conditions. The present study provides basic information for the formation and dissociation of CO2 hydrates in the geological formation when sequestering CO2 as a form of CO2 hydrate.

  2. Dynamic equilibrium dissolution of complex nonaqueous phase liquid mixtures into the aqueous phase.

    PubMed

    Schluep, Mathias; Gälli, René; Imboden, Dieter M; Zeyer, Josef

    2002-07-01

    Human health risks posed by hazardous substances seeping from a pool of nonaqueous phase liquids (NAPLs) into groundwater change over time because the more soluble compounds such as benzene, toluene, ethylbenzene, and xylene (BTEX) dissolve faster into the aqueous phase than less soluble compounds such as polycyclic aromatic hydrocarbons (PAH). Long-term dissolution from diesel fuel into the aqueous phase was determined experimentally in a continuous flow-through system using the slow-stirring method. The data obtained are interpreted using a dynamic equilibrium dissolution model based on Raoult's law. The predicted temporal development of aqueous concentrations are in good agreement with the experimental results. When a compound in the NAPL approaches complete depletion, a tailing behavior is observed, which is assigned to nonequilibrium effects, such as mass transfer limitations in the NAPL phase. The model predicted an increase of the mean molar mass of the diesel fuel of 1.5% over the entire experimental period. It should be noted that, if the dissolution process were to proceed further, the change in the mean molar mass could become significant and render the simple model inaccurate. Yet the simple model supports the assessment of initial action after a contamination event as well as the planning of long-term remedial strategies. PMID:12109733

  3. Modeling non-equilibrium phase transitions in isentropically compressed Bi

    SciTech Connect

    Kane, J; Smith, R

    2005-09-19

    We report here on modeling of non-equilibrium phase transitions in Bi samples isentropically compressed to 120 GPa by a ramped drive, which is produced using the Janus laser. In the experiments, the Bi samples are attached to windows of LiF or sapphire, and the velocity history of the sample-window interface is recorded with line VISAR. The 1D response of the targets is modeled using a multiphase Bi EOS, the Andrews-Hayes method for non-equilibrium transitions, and a Boettger-Wallace kinetics model. The pressure drive is deduced by back integration of VISAR data from shots performed with Al samples.

  4. Direct Phase Equilibrium Simulations of NIPAM Oligomers in Water.

    PubMed

    Boţan, Vitalie; Ustach, Vincent; Faller, Roland; Leonhard, Kai

    2016-04-01

    NIPAM (N-isopropylacrylamide)-based polymers in water show many interesting properties in experiments, including a lower critical solution temperature (LCST) at 305 K and a conformational transition of single chains at the same temperature. The results of many simulation studies suggest that standard force fields are able to describe the conformational transition and the phase equilibrium well. We show by performing long molecular dynamics simulations of the direct liquid-liquid phase equilibrium of NIPAM trimers in water that there is no LCST in the expected temperature range for any of the force fields under study. The results show further that the relaxation times of single-chain simulations are considerably longer than anticipated. Conformational transitions of single polymers can therefore not necessarily be used as surrogates for a real phase transition. PMID:26991504

  5. Phase equilibrium behavior of the carbon dioxide + benzophenone binary system

    SciTech Connect

    Tarantino, D.E.; Kohn, J.P.; Brennecke, J.F. . Dept. of Chemical Engineering)

    1994-01-01

    Phase equilibrium behavior of various binary CO[sub 2] + hydrocarbon mixtures has been studied by many researchers, providing data which are useful in the design of economically attractive separation processes using carbon dioxide as a solvent. Pressure, liquid-phase composition, and liquid-phase molar volumes are presented for the binary vapor-liquid system CO[sub 2] + benzophenone at 25, 35, and 50 C. Also, pressure, liquid-phase compositions, and liquid-phase molar volumes on the S[sub 1]-L[sub 1]-V curve and L[sub 1]-L[sub 2]-V curve are presented. The termination points of these loci are located and characterized.

  6. Experimental rovibrational constants and equilibrium structure of phosphorus trifluoride

    NASA Astrophysics Data System (ADS)

    Najib, Hamid

    2014-11-01

    Thanks to recent high-resolution Fourier transform infrared (FTIR) and pure rotational (RF/CM/MMW) measurements, several experimental values of the rotation-vibration parameters of the oblate molecule PF3 have been extracted, contributing thus to the knowledge of the molecular potential of phosphorus trifluoride. The data used are those of the fundamental, overtone and combination bands studied in the 300-1500 cm-1 range. The new values are in good agreement with ones determined at low resolution, but significantly more accurate. The agreement is excellent with the available values determined by ab initio HF-SCF calculations employing the TZP/TZ2P triple-zeta basis. From the recent experimental rovibrational interaction constants αC and αB, new accurate equilibrium rotational constants Ce and Be have been derived for the symmetric top molecule PF3, which were used to derive the equilibrium geometry of this molecule: re(F-P) = 1.560986 (43) Å; θe(FPF) = 97.566657 (64)°.

  7. Equilibrium Phase Behavior of a Continuous-Space Microphase Former

    NASA Astrophysics Data System (ADS)

    Zhuang, Yuan; Zhang, Kai; Charbonneau, Patrick

    2016-03-01

    Periodic microphases universally emerge in systems for which short-range interparticle attraction is frustrated by long-range repulsion. The morphological richness of these phases makes them desirable material targets, but our relatively coarse understanding of even simple models hinders controlling their assembly. We report here the solution of the equilibrium phase behavior of a microscopic microphase former through specialized Monte Carlo simulations. The results for cluster crystal, cylindrical, double gyroid, and lamellar ordering qualitatively agree with a Landau-type free energy description and reveal the nontrivial interplay between cluster, gel, and microphase formation.

  8. Modeling of gamma/gamma-prime phase equilibrium in the nickel-aluminum system

    NASA Technical Reports Server (NTRS)

    Sanchez, J. M.; Barefoot, J. R.; Jarrett, R. N.; Tien, J. K.

    1984-01-01

    A theoretical model is proposed for the determination of phase equilibrium in alloys, taking into consideration dissimilar lattice parameters. Volume-dependent pair interactions are introduced by means of phenomenological Lennard-Jones potentials and the configurational entropy of the system is treated in the tetrahedron approximation of the cluster variation method. The model is applied to the superalloy-relevant, nickel-rich, gamma/gamma-prime phase region of the Ni-Al phase diagram. The model predicts reasonable values for the lattice parameters and the enthalpy of formation as a function of composition, and the calculated phase diagram closely approximates the experimental diagram.

  9. Biological Implications of Dynamical Phases in Non-equilibrium Networks

    NASA Astrophysics Data System (ADS)

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2016-03-01

    Biology achieves novel functions like error correction, ultra-sensitivity and accurate concentration measurement at the expense of free energy through Maxwell Demon-like mechanisms. The design principles and free energy trade-offs have been studied for a variety of such mechanisms. In this review, we emphasize a perspective based on dynamical phases that can explain commonalities shared by these mechanisms. Dynamical phases are defined by typical trajectories executed by non-equilibrium systems in the space of internal states. We find that coexistence of dynamical phases can have dramatic consequences for function vs free energy cost trade-offs. Dynamical phases can also provide an intuitive picture of the design principles behind such biological Maxwell Demons.

  10. Phase diagram of KHF2 and non-equilibrium effects

    NASA Technical Reports Server (NTRS)

    Hobson, M. C.; Kellner, J. D.

    1978-01-01

    The equilibrium diagram for the KHF2-H2O system was constructed from cooling and heating curves for the compositions between 5 wt% and 40 wt% KHF2 and the results are shown. The phase diagrams shown is typical of that of a two component system with miscible liquid phases and whole solid phases consist of pure components. A eutectic point was found at approximately 15% KHF2 which remains completely liquid down to a temperature of -9.0 C. No hydrate formation was observed and no anomalous behavior such as the occurrence of solid transitions or metastable states was observed. The effect of rapid freezing on the equilibrium diagram did not appear, and cooling curves exhibited only one halt. Also, at rapid freezing rates, the supercooling of the solutions was smaller than those observed at the slow cooling rates. The existence of a eutectic composition and the slow rate of dissolution of the salt are used to interpret heat absorption behavior in practical applications of the KHF2-H2O system.

  11. Optical Properties in Non-equilibrium Phase Transitions

    SciTech Connect

    Ao, T; Ping, Y; Widmann, K; Price, D F; Lee, E; Tam, H; Springer, P T; Ng, A

    2006-01-05

    An open question about the dynamical behavior of materials is how phase transition occurs in highly non-equilibrium systems. One important class of study is the excitation of a solid by an ultrafast, intense laser. The preferential heating of electrons by the laser field gives rise to initial states dominated by hot electrons in a cold lattice. Using a femtosecond laser pump-probe approach, we have followed the temporal evolution of the optical properties of such a system. The results show interesting correlation to non-thermal melting and lattice disordering processes. They also reveal a liquid-plasma transition when the lattice energy density reaches a critical value.

  12. Equilibrium phase diagrams of alloys using nested sampling

    NASA Astrophysics Data System (ADS)

    Bernstein, Noam; Baldock, Robert J. N.; Bartók-Partáy, Livia; Csányi, Gábor

    Temperature-pressure-composition phase diagrams describe the structures of materials in thermal equilibrium, and are an essential tool in understanding material properties. Predicting phase diagrams is challenging, even given a description of the interatomic interactions, because of the need to sample a very large configuration space. Nested sampling (NS) has been shown to be an efficient tool for calculating the partition function, and therefore all thermodynamic properties and ensemble averages, by systematically sampling the configuration space of isolated and periodic systems. Its effectiveness comes from sampling starting from high energy, where barriers are relatively low and equilibration is relatively fast, and iteratively eliminating a fixed fraction of the remaining configuration space. We present an application of NS at constant pressure to the phase diagram of a model binary alloy, CuAu, using an embedded atom method potential. We identify phase transitions indicated by peaks in the calculated specific heat, and the dominant phase at each temperature from ensemble-averaged structural ordering, as represented by quantities such as the radial distribution function. These results demonstrate the power of NS as a method for calculating complete phase diagrams.

  13. Some phase equilibrium systematics of lherzolite melting: I

    NASA Astrophysics Data System (ADS)

    Longhi, John

    2002-03-01

    New piston-cylinder experiments constrain the compositions of a series of synthetic picritic liquids that are in equilibrium with forsteritic olivine, orthopyroxene, clinopyroxene, and garnet or spinel from 2.4 to 3.4 Gpa. Mass balance calculations show that two of the liquid + crystal assemblages are consistent with those expected by 4.4 and 1.6 wt % anhydrous partial melting of a peridotite generally similar in composition to estimates of depleted upper mantle (DPUM). The liquids in these runs contain <=2.0 wt % Na2O. Lherzolitic liquids with higher concentrations of Na2O have negative mass balance coefficients, regardless of Mg', implying that there is a limit of ~2 wt % Na2O in anhydrous partial melts of peridotites with ~0.3 wt % bulk Na2O in the upper garnet-lherzolite stability field. Examination of liquidus equilibria in the NCMAS system demonstrates that coupling of Na2O and SiO2 concentrations in liquids saturated with lherzolite assemblages permits high-Na2O, high-SiO2 melts at pressures ~1.0 GPa, whereas only high-Na2O, low-SiO2 melts are possible in the garnet-lherzolite stability field. Because the bulk partition coefficient for Na2O increases with pressure, the concentration of Na2O in batch melts of the same percent will necessarily decrease with pressure. Calculations of low-degree anhydrous melting of DPUM with a revised melting model, BATCH, indicate that the Na2O concentration decreases with increasing pressure more rapidly than in previous models. Thus, for example, 1% melting of lherzolite with Na2O bulk concentration typical of estimated terrestrial mantle (~0.3 wt %), can produce a liquid with ~6 wt % Na2O at 1.0 GPa but only ~2% Na2O at 3.0 Gpa. In calculated melts of the DPUM and PUM compositions at 1.0 Gpa, the TiO2 concentration decreases between 10 and 1% melting in response to an increase inDTiO2cpx, consistent reported experimental observations. The increase in DTiO2cpx appears to be a response to increasing alkalis in the melt

  14. Eutectic mixed monolayers in equilibrium with phospholipid-bilayers and triolein-liquid phase.

    PubMed Central

    Handa, T; Saito, H; Miyajima, K

    1993-01-01

    Triolein (TO) and phospholipids (egg yolk phosphatidylcholine, egg yolk phosphatidylethanolamine, and bovine brain phosphatidylserine) had low mutual solubilities and separated into the TO-liquid phase and phospholipid-bilayers. Spreading pressures of the TO-phospholipid mixture (i.e., surface pressures of the mixed monolayer in equilibrium with the phase-separating lipid mixture) at the air/saline interface were independent of the lipid composition. On the other hand, collapse pressures of the mixed monolayer of TO and phospholipid (i.e., surface pressures of the mixed monolayer in equilibrium with the TO-liquid phase) at the interface changed with the monolayer composition and were lower than the spreading pressure. The experimental data indicated the spreading and collapse pressures as offering a phase diagram for the presence of equilibrium between the mixed monolayer, the phospholipid-bilayers and the TO-liquid phase. The diagram showed that TO and the phospholipids were miscible in the mixed monolayer, forming an eutectic mixed monolayer. When the mixed monolayer initially had the eutectic composition, no collapse of the monolayer was detected until the surface pressure reached the value of the spreading pressure. No specific complex between TO and the phospholipid is required to explain the stability and collapse of the mixed monolayers. The bulk immiscibility of the lipids elucidated by the spreading pressure-measurements, immediately leads to the phase behaviors observed. PMID:8369406

  15. Off-equilibrium photon production during the chiral phase transition

    SciTech Connect

    Michler, Frank; Hees, Hendrik van; Dietrich, Dennis D.; Leupold, Stefan; Greiner, Carsten

    2013-09-15

    In the early stage of ultrarelativistic heavy-ion collisions chiral symmetry is restored temporarily. During this so-called chiral phase transition, the quark masses change from their constituent to their bare values. This mass shift leads to the spontaneous non-perturbative creation of quark–antiquark pairs, which effectively contributes to the formation of the quark–gluon plasma. We investigate the photon production induced by this creation process. We provide an approach that eliminates possible unphysical contributions from the vacuum polarization and renders the resulting photon spectra integrable in the ultraviolet domain. The off-equilibrium photon numbers are of quadratic order in the perturbative coupling constants while a thermal production is only of quartic order. Quantitatively, we find, however, that for the most physical mass-shift scenarios and for photon momenta larger than 1 GeV the off-equilibrium processes contribute less photons than the thermal processes. -- Highlights: •We investigate first-order photon emission arising from the chiral mass shift. •We provide an ansatz eliminating possible unphysical vacuum contributions. •Our ansatz leads to photon spectra being integrable in the ultraviolet domain.

  16. Phase equilibrium in coal liquefaction processes. Final report

    SciTech Connect

    Chao, K.C.

    1984-08-01

    Gas-liquid equilibrium data have been determined in simulation of coal liquefaction process conditions in mixtures of light gases + heavy hydrocarbons to add to the accumulated data previously reported in EPRI AP-1593. The mixture systems newly investigated are: methane + 9,10 dihydrophenanthrene; hydrogen + methane + 1-methylnaphthalene; hydrogen + carbon dioxide + tetralin; hydrogen + carbon dioxide + 1-methynaphthalene; hydrogen + carbon dioxide + quinoline; nitrogen + tetralin, + n-hexadecane, + 1-methylnaphthalene, + quinoline, and + m-cresol. Correlations for the solubilities of methane and carbon dioxide have been developed from the data based on the use of solubility parameter. The solubility of hydrogen was correlated in EPRI AP-1593. Two equations of state are developed for the description of both the gas solubility and the vaporization of the heavy oil. The Chain-of-Rotators (COR) equation of state explicitly accounts for the rotational molecular motion contribution to the pressure of a fluid. The Cubic-Chain-of-Rotators (CCOR) equation is obtained upon simplifying the COR equation. Interaction constants in the CCOR equation have been determined for the light gases with the heavy hydrocarbons based on data from this project, and the constants are correlated. Equilibrium flash vaporization has been experimentally determined for three coal liquids and for their mixtures with hydrogen. The data are correlated with the CCOR equation of state. 74 figures, 46 tables.

  17. Solution properties of almandine-pyrope garnet as determined by phase equilibrium experiments

    USGS Publications Warehouse

    Koziol, A.M.; Bohlen, S.R.

    1992-01-01

    The thermodynamic mixing properties of almandine-pyrope garnet were derived from phase equilibrium experiments at temperatures of 900 and 1000??C and pressures from 8 to 14 kbar. Almandine has essentially ideal behavior in almandine-pyrope garnet over the composition range Alm89-Alm61 at the above experimental conditions. In all experimental products a systematic partitioning of Fe and Mg between garnet and ilmenite was seen with ln Kd ??? 1.59 which was not temperature sensitive. The results support the use of garnet mixing models that incorporate ideal or nearly ideal Fe-Mg parameters. -from Authors

  18. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    NASA Astrophysics Data System (ADS)

    Choi, Jeong Yun

    The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification. The energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. For analytical description of specific single-phase dendritic and cellular operating point selection, analytical models for solute partitioning under a given set of growth conditions have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these solute trapping models are not rigorously verified due to the difficulty in experimentally measuring under rapid growth conditions. Moreover, since these solute trapping models include kinetic parameters which are difficult to directly measure from experiments, application of the solute trapping models or the associated analytic rapid solidification model is limited. These theoretical models for steady state rapid solidification which incorporate the solute trapping models do not describe the interdependency of solute diffusion, interface kinetics, and alloy thermodynamics. This research program is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution at high undercooling, where conditions depart significantly from local equilibrium. Through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and

  19. Protein accumulation in the endoplasmic reticulum as a non-equilibrium phase transition.

    PubMed

    Budrikis, Zoe; Costantini, Giulio; La Porta, Caterina A M; Zapperi, Stefano

    2014-01-01

    Several neurological disorders are associated with the aggregation of aberrant proteins, often localized in intracellular organelles such as the endoplasmic reticulum. Here we study protein aggregation kinetics by mean-field reactions and three dimensional Monte carlo simulations of diffusion-limited aggregation of linear polymers in a confined space, representing the endoplasmic reticulum. By tuning the rates of protein production and degradation, we show that the system undergoes a non-equilibrium phase transition from a physiological phase with little or no polymer accumulation to a pathological phase characterized by persistent polymerization. A combination of external factors accumulating during the lifetime of a patient can thus slightly modify the phase transition control parameters, tipping the balance from a long symptomless lag phase to an accelerated pathological development. The model can be successfully used to interpret experimental data on amyloid-β clearance from the central nervous system. PMID:24722051

  20. Protein accumulation in the endoplasmic reticulum as a non-equilibrium phase transition

    PubMed Central

    Budrikis, Zoe; Costantini, Giulio; La Porta, Caterina A. M.; Zapperi, Stefano

    2014-01-01

    Several neurological disorders are associated with the aggregation of aberrant proteins, often localized in intracellular organelles such as the endoplasmic reticulum. Here we study protein aggregation kinetics by mean-field reactions and three dimensional Monte carlo simulations of diffusion-limited aggregation of linear polymers in a confined space, representing the endoplasmic reticulum. By tuning the rates of protein production and degradation, we show that the system undergoes a non-equilibrium phase transition from a physiological phase with little or no polymer accumulation to a pathological phase characterized by persistent polymerization. A combination of external factors accumulating during the lifetime of a patient can thus slightly modify the phase transition control parameters, tipping the balance from a long symptomless lag phase to an accelerated pathological development. The model can be successfully used to interpret experimental data on amyloid-β clearance from the central nervous system. PMID:24722051

  1. Mechanistic investigation of non-ideal sorption behavior in natural organic matter. 1. Vapor phase equilibrium.

    PubMed

    Bell, Katherine Young; Leboeuf, Eugene J

    2012-06-19

    Results from an experimental and modeling investigation of the influence of thermodynamic properties of highly purified natural organic matter (NOM) on observed equilibrium sorption/desorption behaviors of vapor phase trichloroethylene (TCE) is presented. Identification of glass transition (T(g)) behavior in Leonardite humic acid and Organosolv lignin enabled evaluation of equilibrium and nonequilibrium sorption behavior in glassy and rubbery NOM. Specific differences in vapor phase equilibrium behavior in NOM above and below their T(g) were identified. In the glassy state (below T(g)), sorption of TCE is well-described by micropore models, with enthalpies of sorption characteristic of microporous, glassy macromolecules. Above T(g), sorptive behavior was well-described by Flory-Huggins theory, indicating that the mobility and structural configuration of rubbery NOM materials may be analogous to the characteristic sorption behavior observed in more mobile, rubbery macromolecules, including strong entropic changes during sorption. Results from this work provide further support that, at least for the samples employed in this study, NOM possesses macromolecular characteristics which display sorption behavior similar to synthetic macromolecules-an important assumption in conceptual sorption equilibrium models used in the analysis of the fate and transport of VOCs in the environment. PMID:22642948

  2. Phase equilibrium data for development of correlations for coal fluids

    SciTech Connect

    Robinson, R.L. Jr.; Gasem, K.A.M.; Darwish, N.A.; Raff, A.M.

    1991-02-01

    The overall objective of the authors' work is to develop accurate predictive methods for representations of vapor-liquid equilibria in systems encountered in coal-conversion processes. The objectives pursued in the present project include: (1) Measurements of binary vapor-liquid phase behavior data for selected solute gases (e.g., C{sub 2}H{sub 6}, CH{sub 4}) in a series of paraffinic, naphthenic, and aromatic hydrocarbon solvents to permit evaluations of interaction parameters in models for phase behavior. Solubilities of the gases in the liquid phase have been determined. (2) Evaluation of existing equations of state and other models for representations of phase behavior in systems of the type studied experimentally; development of new correlation frameworks as needed. (3) Generalization of the interaction parameters for the solutes studied to a wide spectrum of heavy solvents; presentation of final results in formats useful in the design/optimization of coal liquefaction processes.

  3. Non-equilibrium model of two-phase porous media flow with phase change

    NASA Astrophysics Data System (ADS)

    Cueto-Felgueroso, L.; Fu, X.; Juanes, R.

    2014-12-01

    The efficient simulation of multi-phase multi-component flow through geologic porous media is challenging and computationally intensive, yet quantitative modeling of these processes is essential in engineering and the geosciences. Multiphase flow with phase change and complex phase behavior arises in numerous applications, including enhanced oil recovery, steam injection in groundwater remediation, geologic CO2 storage and enhanced geothermal energy systems. A challenge of multiphase compositional simulation is that the number of existing phases varies with position and time, and thus the number of state variables in the saturation-based conservation laws is a function of space and time. The tasks of phase-state identification and determination of the composition of the different phases are performed assuming local thermodynamic equilibrium. Here we investigate a thermodynamically consistent formulation for non-isothermal two-phase flow, in systems where the hypothesis of instantaneous local equilibrium does not hold. Non-equilibrium effects are important in coarse-scale simulations where the assumption of complete mixing in each gridblock is not realistic. We apply our model to steam injection in water-saturated porous media.

  4. Phase equilibrium modeling for high temperature metallization on GaAs solar cells

    NASA Technical Reports Server (NTRS)

    Chung, M. A.; Davison, J. E.; Smith, S. R.

    1991-01-01

    Recent trends in performance specifications and functional requirements have brought about the need for high temperature metallization technology to be developed for survivable DOD space systems and to enhance solar cell reliability. The temperature constitution phase diagrams of selected binary and ternary systems were reviewed to determine the temperature and type of phase transformation present in the alloy systems. Of paramount interest are the liquid-solid and solid-solid transformations. Data are being utilized to aid in the selection of electrical contact materials to gallium arsenide solar cells. Published data on the phase diagrams for binary systems is readily available. However, information for ternary systems is limited. A computer model is being developed which will enable the phase equilibrium predictions for ternary systems where experimental data is lacking.

  5. Experimental equilibrium between acid gases and ethanolamine solutions

    SciTech Connect

    Bhairi, A.M.

    1984-01-01

    The general subject area of this study is equilibrium solubility of carbon dioxide and hydrogen sulfide in solutions of some common ethanolamines. The amines studied are most widely used in the area of gas sweetening. They include monoethanolamine, diglycolamine, diethanolamine and methyldiethanolamine. Only limited data are available for some of these amines. The process involved developing simple apparatus and procedure for investigating the equilibrium solubility of carbon dioxide and hydrogen sulfide in aqueous alkanolamine solutions. The procedure uses a single equilibrium cell. No gas chromatograph nor liquid chemical analysis is required. Measurements of the solubility were made in different amine solution concentrations at acid gas partial pressures to 1000 psia and temperatures from 77 to 240{degree}F. The method used was found to be sound as indicated by the consistency and reproducibility of the data.

  6. Relevant Models of Equilibrium Structures in One-Phase Regimes of Microemulsions.

    NASA Astrophysics Data System (ADS)

    Edwards, M. E.

    2000-11-01

    Although several studies have focused on equilibrium structures--domains--in one-phase regimes of dilutive microemulsions, the structures have not been completely determined. Here, we review the relevant continuum-statistical and continuum-mechanical models with the ultimate objective of their extension or modification. Presently, the models describe single droplet domains, two interacting droplets or dimer constructions, and thermal fluctuation description. Also, we present the rudiments of an interaction model which considers the undulations of two ellipsoidal droplets. A satisfactory model of equilibrium structures is essential if we are to further elucidate the behavior of microemulsions in various environments, such as, the case of microemulsions being located in a pulsed, external electric field: the phenomenon of static electro-optical Kerr effect. Currently, variations exist between relevant models and experimental results.

  7. Disposal phase experimental program plan

    SciTech Connect

    1997-01-31

    The Waste Isolation Pilot Plant (WIPP) facility comprises surface and subsurface facilities, including a repository mined in a bedded salt formation at a depth of 2,150 feet. It has been developed to safely and permanently isolate transuranic (TRU) radioactive wastes in a deep geological disposal site. On April 12, 1996, the DOE submitted a revised Resource Conservation and Recovery Act (RCRA) Part B permit application to the New Mexico Environment Department (NMED). The DOE anticipates receiving an operating permit from the NMED; this permit is required prior to the start of disposal operations. On October 29, 1996, the DOE submitted a Compliance Certification Application (CCA) to the US Environmental Protection Agency (EPA) in accordance with the WIPP land Withdrawal Act (LWA) of 1992 (Public Law 102-579) as amended, and the requirements of Title 40 of the Code of Federal Regulations (40 CFR) Parts 191 and 194. The DOE plans to begin disposal operations at the WIPP in November 1997 following receipt of certification by the EPA. The disposal phase is expected to last for 35 years, and will include recertification activities no less than once every five years. This Disposal Phase Experimental Program (DPEP) Plan outlines the experimental program to be conducted during the first 5-year recertification period. It also forms the basis for longer-term activities to be carried out throughout the 35-year disposal phase. Once the WIPP has been shown to be in compliance with regulatory requirements, the disposal phase gives an opportunity to affirm the compliance status of the WIPP, enhance the operations of the WIPP and the national TRU system, and contribute to the resolution of national and international nuclear waste management technical needs. The WIPP is the first facility of its kind in the world. As such, it provides a unique opportunity to advance the technical state of the art for permanent disposal of long-lived radioactive wastes.

  8. Phase equilibrium and intermediate phases in the Eu-Sb system

    SciTech Connect

    Abdusalyamova, M.N.

    2011-10-15

    Rapid heating rate thermal analysis, X-ray diffraction, fluorescence spectrometry, and differential dissolution method were used to study the high-temperature phase equilibrium in the Eu-Sb system within the composition range between 37 and 96 at% Sb. The techniques were effective in determination of the vapor-solid-liquid equilibrium since intermediate phases except Eu{sub 4}Sb{sub 3} evaporated incongruently after melting. A thermal procedure was developed to determine the liquidus and solidus lines of the T-x diagram. Six stable phases were identified: two phases, EuSb{sub 2} and Eu{sub 4}Sb{sub 3}, melt congruently at 1045{+-}10 deg. C and 1600{+-}15 deg. C, the Eu{sub 2}Sb{sub 3}, Eu{sub 11}Sb{sub 10}, Eu{sub 5}Sb{sub 4}, and Eu{sub 5}Sb{sub 3} phases melt incongruently at 850{+-}8 deg. C, 950{+-}10 deg. C, 1350{+-}15 deg. C, and 1445{+-}15 deg. C, respectively. The exact composition shifting of Sb-rich decomposable phases towards Eu{sub 4}Sb{sub 3}, the most refractory compound, was determined. The topology of the Eu-Sb phase diagram was considered together with that of the Yb-Sb system. - Graphical abstract: The high-temperature range of the T-x phase diagram for the Eu-Sb system. Highlights: > The phase relations in the Eu-Sb system were studied over a large composition and temperature scale. > The liquidus and solidus lines of the T-x diagram were well established using effective techniques. > In the system, six binary phases are stable and they melt incongruently except EuSb{sub 2} and Eu{sub 4}Sb{sub 3}. > Incongruent evaporation was found to be typical of all the phases besides Eu{sub 4}Sb{sub 3}.

  9. Trace element partitioning behavior of coal gangue-fired CFB plant: experimental and equilibrium calculation.

    PubMed

    Zhang, Yingyi; Nakano, Jinichiro; Liu, Lili; Wang, Xidong; Zhang, Zuotai

    2015-10-01

    Energy recovery is a promising method for coal gangue utilization, during which the prevention of secondary pollution, especially toxic metal emission, is a significant issue in the development of coal gangue utilization. In the present study, investigation into trace element partitioning behavior from a coal gangue-fired power plant in Shanxi province, China, has been conducted. Besides the experimental analysis, thermodynamic equilibrium calculation was also conducted to help the further understanding on the effect of different parameters. Results showed that Hg, As, Be, and Cd were highly volatile elements in the combustion of coal gangue, which were notably enriched in fly ash and may be emitted into the environment via the gas phase. Cr and Mn were mostly non-volatile and were enriched in the bottom ash. Pb, Co, Zn, Cu, and Ni were semi-volatile elements and were enriched in the fly ash to varying degrees. Equilibrium calculations show that the air/fuel ratio and the presence of Cl highly affect the element volatility. The presence of mineral phases, such as aluminosilicates, depresses the volatility of elements by chemical immobilization and competition in Cl. The coal gangue, fly ash, and bottom ash all passed the toxicity characteristic leaching procedure (TCLP), and their alkalinity buffers the acidity of the solution and contributes to the low solubility of the trace elements. PMID:26006077

  10. Equilibrium and non-equilibrium dynamics of the dilute lamellar phase

    NASA Astrophysics Data System (ADS)

    Ramaswamy, Sriram

    1992-07-01

    A model for the dynamics of the sterically stabilized dilute lamellar phase is constructed and studied. The model consists of a stack of flexible fluid sheets, with excluded volume, separated by macroscopic layers of solvent. The dynamics of small fluctuations of the sheets about their mean positions is found to have two distinct short-wavelength regimes in which the frequency ω depends on the wavenumber q in an unusual manner. One is a single-membrane Zimm mode, ω ≈ - iq3, while the other is a “red-blood-cell mode”, ω ≈ - iq6. These modes give rise to fluctuation corrections for the viscosities of the system, going as ω {-1}/{3} and ω {-2}/{3}, respectively. In addition, it is shown that a sufficiently rapid shear flow with velocity and gradient in the plane of the layers causes a transition into a state where regions of reduced layer spacing co-exist with regions devoid of any layer material. The critical shear-rate for this transition should go as (layer spacing) -3. Possible experimental tests of these predictions are discussed.

  11. Student Understanding of Liquid-Vapor Phase Equilibrium

    ERIC Educational Resources Information Center

    Boudreaux, Andrew; Campbell, Craig

    2012-01-01

    Student understanding of the equilibrium coexistence of a liquid and its vapor was the subject of an extended investigation. Written assessment questions were administered to undergraduates enrolled in introductory physics and chemistry courses. Responses have been analyzed to document conceptual and reasoning difficulties in sufficient detail to…

  12. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene

    PubMed Central

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-01-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties. PMID:27609305

  13. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene.

    PubMed

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-01-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties. PMID:27609305

  14. Effect of organic matter on CO(2) hydrate phase equilibrium in phyllosilicate suspensions.

    PubMed

    Park, Taehyung; Kyung, Daeseung; Lee, Woojin

    2014-06-17

    In this study, we examined various CO2 hydrate phase equilibria under diverse, heterogeneous conditions, to provide basic knowledge for successful ocean CO2 sequestration in offshore marine sediments. We investigated the effect of geochemical factors on CO2 hydrate phase equilibrium. The three-phase (liquid-hydrate-vapor) equilibrium of CO2 hydrate in the presence of (i) organic matter (glycine, glucose, and urea), (ii) phyllosilicates [illite, kaolinite, and Na-montmorillonite (Na-MMT)], and (iii) mixtures of them was measured in the ranges of 274.5-277.0 K and 14-22 bar. Organic matter inhibited the phase equilibrium of CO2 hydrate by association with water molecules. The inhibition effect decreased in the order: urea < glycine < glucose. Illite and kaolinite (unexpandable clays) barely affected the CO2 hydrate phase equilibrium, while Na-MMT (expandable clay) affected the phase equilibrium because of its interlayer cations. The CO2 hydrate equilibrium conditions, in the illite and kaolinite suspensions with organic matter, were very similar to those in the aqueous organic matter solutions. However, the equilibrium condition in the Na-MMT suspension with organic matter changed because of reduction of its inhibition effect by intercalated organic matter associated with cations in the Na-MMT interlayer. PMID:24844562

  15. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    SciTech Connect

    Choi, Jeong

    2011-01-01

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  16. Phase Segregation at the Liquid-Air Interface Prior to Liquid-Liquid Equilibrium.

    PubMed

    Bermúdez-Salguero, Carolina; Gracia-Fadrique, Jesús

    2015-08-13

    Binary systems with partial miscibility segregate into two liquid phases when their overall composition lies within the interval defined by the saturation points; out of this interval, there is one single phase, either solvent-rich or solute-rich. In most systems, in the one-phase regions, surface tension decreases with increasing solute concentration due to solute adsorption at the liquid-air interface. Therefore, the solute concentration at the surface is higher than in the bulk, leading to the hypothesis that phase segregation starts at the liquid-air interface with the formation of two surface phases, before the liquid-liquid equilibrium. This phenomenon is called surface segregation and is a step toward understanding liquid segregation at a molecular level and detailing the constitution of fluid interfaces. Surface segregation of aqueous binary systems of alkyl acetates with partial miscibility was theoretically demonstrated by means of a thermodynamic stability test based on energy minimization. Experimentally, the coexistence of two surface regions was verified through Brewster's angle microscopy. The observations were further interpreted with the aid of molecular dynamics simulations, which show the diffusion of the acetates from the bulk toward the liquid-air interface, where acetates aggregate into acetate-rich domains. PMID:26189700

  17. The nuclear liquid-vapor phase transition: Equilibrium between phases or free decay in vacuum?

    SciTech Connect

    Phair, L.; Moretto, L.G.; Elliott, J.B.; Wozniak, G.J.

    2002-11-14

    Recent analyses of multifragmentation in terms of Fisher's model and the related construction of a phase diagram brings forth the problem of the true existence of the vapor phase and the meaning of its associated pressure. Our analysis shows that a thermal emission picture is equivalent to a Fisher-like equilibrium description which avoids the problem of the vapor and explains the recently observed Boltzmann-like distribution of the emission times. In this picture a simple Fermi gas thermometric relation is naturally justified. Low energy compound nucleus emission of intermediate mass fragments is shown to scale according to Fisher's formula and can be simultaneously fit with the much higher energy ISiS multifragmentation data.

  18. An experimental study of trace element partitioning between perovskite, hibonite and melt: Equilibrium values

    NASA Technical Reports Server (NTRS)

    Kennedy, A. K.; Lofgren, G. E.; Wasserburg, G. J.

    1993-01-01

    The presence of perovskite (CATiO3) and hibonite (Ca Al12O19) within different regions of Calcium-, Aluminum-rich Inclusions (CAI) and the trace element concentrations of these minerals in each circumstance, constrain models of precursor formation, nebular condensation, the thermal history of inclusions with relict perovskite and hibonite, and the formation of the Wark-Lovering rim. At present mineral/melt partition coefficient data for hibonite are limited to a few elements in simple experimental systems, or to those derived from hibonite-glass pairs in hibonite/glass microspherules. Similarly, there is only limited data on perovskite D that are applicable to meteorite compositions. Apart from the importance of partitioning studies to meteorite research, D values also are invaluable in the development of thermodynamic models, especially when data is available for a large number of elements that have different ionic charge and radii. In addition, study of the effect of rapid cooling on partitioning is crucial to our understanding of meteorite inclusions. To expand our knowledge of mineral/melt D for perovskite and hibonite, a study was instituted where D values are obtained in both equilibrium and dynamic cooling experiments. As an initial phase of this study mineral/melt D was measured for major elements (Ca, Mg, Al, Ti, and Si), 15 rare earth elements (La-Lu) and 8 other elements (Ba, Sr, U, Th, Nb, Zr, Hf, and Ge) in perovskite and hibonite grown under equilibrium conditions, in bulk compositions that are respectively similar to Compact Type A (CTA) CAI and to a hibonite/glass microspherule. Experimental mixes were doped with REE at 20-50x chondritic (ch) abundances, Ba at 50 ppm, Sr, Hf, Nb, and Zr at 100 ppm and, U and Th at 200 ppm. Trace element abundances were measured with the PANURGE ion microprobe. Major element compositions were obtained by electron microprobe analysis.

  19. Exploiting non-equilibrium phase separation for self-assembly.

    PubMed

    Grünwald, Michael; Tricard, Simon; Whitesides, George M; Geissler, Phillip L

    2016-02-01

    Demixing can occur in systems of two or more particle species that experience different driving forces, e.g., mixtures of self-propelled active particles or of oppositely charged colloids subject to an electric field. Here we show with macroscopic experiments and computer simulations that the forces underlying such non-equilibrium segregation can be used to control the self-assembly of particles that lack attractive interactions. We demonstrate that, depending on the direction, amplitude and frequency of a periodic external force acting on one particle species, the structures formed by a second, undriven species can range from compact clusters to elongated, string-like patterns. PMID:26658789

  20. Thermodynamic Study of the Role of Interface Curvature on Multicomponent Vapor-Liquid Phase Equilibrium.

    PubMed

    Shardt, Nadia; Elliott, Janet A W

    2016-04-14

    The effect of interface curvature on phase equilibrium has been much more studied for single-component than multicomponent systems. We isolate the effect of curvature on multicomponent vapor-liquid equilibrium (VLE) phase envelopes and phase composition diagrams using the ideal system methanol/ethanol and the nonideal system ethanol/water as illustrative examples. An important finding is how nanoscale interface curvature shifts the azeotrope (equal volatility point) of nonideal systems. Understanding of the effect of curvature on VLE can be exploited in future nanoscale prediction and design. PMID:27028744

  1. Phase equilibrium of sodium bis(2-ethylhexyl) phosphate/water/n-heptane/sodium chloride microemulsion

    SciTech Connect

    Shioi, Akihisada; Harada, Makoto; Matsumoto, Keishi )

    1991-09-19

    The microemulsion phase diagram for the sodium bis(2-ethylhexyl) phosphate (SDEHP)/water/n-heptane/sodium chloride system is reported. The salinity effects on the phase diagram are discussed in detail. Cylindrical aggregates were found to exist in the oil-rich region and disklike aggregates in the brine-rich region. The middle-phase microemulsion in equilibrium with both the excess brine and oil phases was concluded to be composed of these microstructures. Sodium bis(2-ethylhexyl) phosphate has a common hydrocarbon tail with sodium bis(2-ethylhexyl) sulfosuccinate (AOT), but the phase equilibrium and the structures of the microemulsion phases in SDEHP system were much different from those in the AOT case. The differences were attributed to those in the shapes of aggregates for the two cases.

  2. Equilibrium lines and barriers to phase transitions: the cubic diamond to beta-tin transition in Si from first principles.

    PubMed

    Qiu, S L; Marcus, P M

    2012-06-01

    The phase transition between the cubic diamond (cd) and beta-tin (β-Sn) phases of Si under pressure and the region of interaction of the two phases are studied by first-principles total energy calculations. For a non-vibrating crystal we determine the pressure of the thermodynamic phase transition p(t) = 96 kbar, the Gibbs free energy barrier at p(t) of ΔG = 19.6 mRyd/atom that stabilizes the phases against a phase transition and the finite pressure range in which both phases are stable. We show that the phases in that pressure range are completely described by three equilibrium lines of states along which the structure, the total energy E, the hydrostatic pressure p that would stabilize the structure and the values of G all vary. Two equilibrium lines describe the two phases (denoted the ph-eq line, ph is cd or β-Sn phase); a third line is a line of saddle points of G with respect to structure (denoted the sp-eq line) that forms a barrier of larger G against instability of the metastable ranges of the phase lines. An important conclusion is that the sp-eq line merges with the two ph-eq lines: one end of the sp-eq line merges with the cd-eq line at high pressure, the other end merges with the β-Sn-eq line at low pressure. The mergers end the barrier protecting the metastable ranges of the two ph-eq lines, hence the lines go unstable beyond the mergers. The mergers thus simplify the phase diagram by providing a natural termination to the stable parts of all metastable ranges of the ph-eq lines. Although 96 kbar is lower than the experimental transition pressure, we note that phonon pressure raises the observed transition pressure. PMID:22551557

  3. The temperature-composition phase diagram of monomyristolein in water: equilibrium and metastability aspects.

    PubMed Central

    Briggs, J; Caffrey, M

    1994-01-01

    The temperature-composition phase diagram of monomyristolein in water was constructed using x-ray diffraction. Low- and wide-angle diffraction patterns were collected from samples of fixed hydration as a function of temperature in the heating direction on x-ray-sensitive film and/or image plates. The phases identified in the system include the lamellar crystalline phase, the lamellar liquid crystalline phase, the fluid isotropic phase, and two inverted cubic phases. Particular attention has been devoted to the issues of phase equilibrium and phase boundary verification. Cubic phase undercooling was examined by adjusting the temperature of several samples in the cubic phase to a value where the lamellar liquid crystalline phase represents equilibrium behavior. Cooling-induced structure and phase changes were monitored continuously over a 30-min period by recording low-angle diffraction patterns from the samples using a streak camera. The cubic-to-lamellar transition rate decreased with increasing sample hydration. Additionally, the transition proceeded more rapidly at an incubation temperature of 25 degrees C compared to that at 0 degrees C. A mechanism is proposed that accounts for the hydration and temperature sensitivity of the phase transition under nonequilibrium conditions. Images FIGURE 1 FIGURE 7 PMID:8011891

  4. Experimental phasing: best practice and pitfalls

    PubMed Central

    McCoy, Airlie J.; Read, Randy J.

    2010-01-01

    Developments in protein crystal structure determination by experimental phasing are reviewed, emphasizing the theoretical continuum between experimental phasing, density modification, model building and refinement. Traditional notions of the composition of the substructure and the best coefficients for map generation are discussed. Pitfalls such as determining the enantiomorph, identifying centrosymmetry (or pseudo-symmetry) in the substructure and crystal twinning are discussed in detail. An appendix introduces com­bined real–imaginary log-likelihood gradient map coefficients for SAD phasing and their use for substructure completion as implemented in the software Phaser. Supplementary material includes animated probabilistic Harker diagrams showing how maximum-likelihood-based phasing methods can be used to refine parameters in the case of SIR and MIR; it is hoped that these will be useful for those teaching best practice in experimental phasing methods. PMID:20382999

  5. Non-equilibrium phase transition in reconstituted acto-myosin cortices

    NASA Astrophysics Data System (ADS)

    Fakhri, Nikta; Abu Shah, Enas; Malik-Garbi, Maya; Mackintosh, Fred C.; Keren, Kinneret; Schmidt, Christoph F.

    2015-03-01

    The cortical actin cytoskeleton is a quasi 2-D active material in which dynamics are dominated by rapid actin turnover and myosin-driven contractility. Here we present a reconstituted model system that emulates these processes in artificial cell-like compartments. By tuning physical and chemical parameters, we induce a non-equilibrium phase transition. We characterize the local dynamics of these reconstituted cortices by tracking embedded single-walled carbon nanotubes (SWNTs). We create high-resolution maps of the contractile actomyosin flows in a homogenous and during transition to an inhomogeneous steady state. We find evidence that connectivity percolation drives the non-equilibrium phase transition.

  6. Phase Equilibria Studies of the Cu-Fe-O-Si System in Equilibrium with Air and with Metallic Copper

    NASA Astrophysics Data System (ADS)

    Hidayat, Taufiq; Henao, Hector M.; Hayes, Peter C.; Jak, Evgueni

    2012-10-01

    Phase equilibria of the Cu-Fe-O-Si system have been investigated in equilibrium: (1) with air atmosphere at temperatures between 1373 K and 1673 K (1100 °C and 1400 °C) and (2) with metallic copper at temperatures between 1373 K and 1573 K (1100 °C and 1300 °C). High-temperature equilibration/quenching/electron-probe X-ray microanalysis (EPMA) techniques have been used to accurately determine the compositions of the phases in equilibrium in the system. The new experimental results are presented in the form of "Cu2O"-"Fe2O3"-SiO2 ternary sections. The relationships between the activity of CuO0.5(l) and the composition of slag in equilibrium with metallic copper are discussed. The phase equilibria information of the Cu-Fe-O-Si system is of practical importance for industrial copper production processes and for the improvement of the existing thermodynamic database of copper-containing slag systems.

  7. The Sulfur-Iodine Cycle: Process Analysis and Design Using Comprehensive Phase Equilibrium Measurements and Modeling

    SciTech Connect

    Thies, Mark C.; O'Connell, J. P.; Gorensek, Maximilian B.

    2010-01-10

    Of the 100+ thermochemical hydrogen cycles that have been proposed, the Sulfur-Iodine (S-I) Cycle is a primary target of international interest for the centralized production of hydrogen from nuclear power. However, the cycle involves complex and highly nonideal phase behavior at extreme conditions that is only beginning to be understood and modeled for process simulation. The consequence is that current designs and efficiency projections have large uncertainties, as they are based on incomplete data that must be extrapolated from property models. This situation prevents reliable assessment of the potential viability of the system and, even more, a basis for efficient process design. The goal of this NERI award (05-006) was to generate phase-equilibrium data, property models, and comprehensive process simulations so that an accurate evaluation of the S-I Cycle could be made. Our focus was on Section III of the Cycle, where the hydrogen is produced by decomposition of hydroiodic acid (HI) in the presence of water and iodine (I2) in a reactive distillation (RD) column. The results of this project were to be transferred to the nuclear hydrogen community in the form of reliable flowsheet models for the S-I process. Many of the project objectives were achieved. At Clemson University, a unique, tantalum-based, phase-equilibrium apparatus incorporating a view cell was designed and constructed for measuring fluid-phase equilibria for mixtures of iodine, HI, and water (known as HIx) at temperatures to 350 °C and pressures to 100 bar. Such measurements were of particular interest for developing a working understanding of the expected operation of the RD column in Section III. The view cell allowed for the IR observation and discernment of vapor-liquid (VL), liquid-liquid, and liquid-liquid-vapor (LLVE) equilibria for HIx systems. For the I2-H2O system, liquid-liquid equilibrium (LLE) was discovered to exist at temperatures up to 310-315 °C, in contrast to the models and

  8. Experimental values of the rotational and vibrational constants and equilibrium structure of nitrogen trifluoride

    NASA Astrophysics Data System (ADS)

    Najib, Hamid

    2015-06-01

    Several accurate experimental values of the rovibrational interaction constants αC and αB, the harmonic wave-number parameters ωij, and the anharmonicity xij and gij constants have been extracted from the most recent high-resolution Fourier transform infrared (FTIR), centimeter-wave (CMW) and millimeter-wave (MMW) measurements in the spectra of the oblate symmetric top molecule 14NF3. The data used are those of the four fundamental, the overtone, the combination and the hot bands identified and analyzed in the range between 400 cm-1 and 2000 cm-1. Combining the recent experimental values of the constants αC and αB, with the accurate experimental ground state rotational constants C0 and B0, new equilibrium rotational constants have been evaluated: Ce = 0.1968006 (26) cm-1 and Be = 0.358981442 (43) cm-1 for the pyramidal molecule NF3, from which the following equilibrium structure is obtained: re(F-N) = 1.36757 (58) Å; θe(FNF) = 101.8513 (10)°. This experimental equilibrium geometry is in excellent agreement with the recent structure determined by ab initio calculations at the CCSD(T)/aug-cc-pVQZ level of theory.

  9. On the Effectiveness of Nature-Inspired Metaheuristic Algorithms for Performing Phase Equilibrium Thermodynamic Calculations

    PubMed Central

    Fateen, Seif-Eddeen K.; Bonilla-Petriciolet, Adrian

    2014-01-01

    The search for reliable and efficient global optimization algorithms for solving phase stability and phase equilibrium problems in applied thermodynamics is an ongoing area of research. In this study, we evaluated and compared the reliability and efficiency of eight selected nature-inspired metaheuristic algorithms for solving difficult phase stability and phase equilibrium problems. These algorithms are the cuckoo search (CS), intelligent firefly (IFA), bat (BA), artificial bee colony (ABC), MAKHA, a hybrid between monkey algorithm and krill herd algorithm, covariance matrix adaptation evolution strategy (CMAES), magnetic charged system search (MCSS), and bare bones particle swarm optimization (BBPSO). The results clearly showed that CS is the most reliable of all methods as it successfully solved all thermodynamic problems tested in this study. CS proved to be a promising nature-inspired optimization method to perform applied thermodynamic calculations for process design. PMID:24967430

  10. On the effectiveness of nature-inspired metaheuristic algorithms for performing phase equilibrium thermodynamic calculations.

    PubMed

    Fateen, Seif-Eddeen K; Bonilla-Petriciolet, Adrian

    2014-01-01

    The search for reliable and efficient global optimization algorithms for solving phase stability and phase equilibrium problems in applied thermodynamics is an ongoing area of research. In this study, we evaluated and compared the reliability and efficiency of eight selected nature-inspired metaheuristic algorithms for solving difficult phase stability and phase equilibrium problems. These algorithms are the cuckoo search (CS), intelligent firefly (IFA), bat (BA), artificial bee colony (ABC), MAKHA, a hybrid between monkey algorithm and krill herd algorithm, covariance matrix adaptation evolution strategy (CMAES), magnetic charged system search (MCSS), and bare bones particle swarm optimization (BBPSO). The results clearly showed that CS is the most reliable of all methods as it successfully solved all thermodynamic problems tested in this study. CS proved to be a promising nature-inspired optimization method to perform applied thermodynamic calculations for process design. PMID:24967430

  11. A Simple System for Observing Dynamic Phase Equilibrium via an Inquiry-Based Laboratory or Demonstration

    ERIC Educational Resources Information Center

    Cloonan, Carrie A.; Andrew, Julie A.; Nichol, Carolyn A.; Hutchinson, John S.

    2011-01-01

    This article describes an activity that can be used as an inquiry-based laboratory or demonstration for either high school or undergraduate chemistry students to provide a basis for understanding both vapor pressure and the concept of dynamic phase equilibrium. The activity includes a simple setup to create a closed system of only water liquid and…

  12. Equilibrium Phase Behavior of the Square-Well Linear Microphase-Forming Model.

    PubMed

    Zhuang, Yuan; Charbonneau, Patrick

    2016-07-01

    We have recently developed a simulation approach to calculate the equilibrium phase diagram of particle-based microphase formers. Here, this approach is used to calculate the phase behavior of the square-well linear model for different strengths and ranges of the linear long-range repulsive component. The results are compared with various theoretical predictions for microphase formation. The analysis further allows us to better understand the mechanism for microphase formation in colloidal suspensions. PMID:27117230

  13. Spontaneous Time Symmetry Breaking in System with Mixed Strategy Nash Equilibrium: Evidences in Experimental Economics Data

    NASA Astrophysics Data System (ADS)

    Wang, Zhijian; Xu, Bin; Zhejiang Collaboration

    2011-03-01

    In social science, laboratory experiment with human subjects' interaction is a standard test-bed for studying social processes in micro level. Usually, as in physics, the processes near equilibrium are suggested as stochastic processes with time-reversal symmetry (TRS). To the best of our knowledge, near equilibrium, the breaking time symmetry, as well as the existence of robust time anti-symmetry processes, has not been reported clearly in experimental economics till now. By employing Markov transition method to analysis the data from human subject 2x2 Games with wide parameters and mixed Nash equilibrium, we study the time symmetry of the social interaction process near Nash equilibrium. We find that, the time symmetry is broken, and there exists a robust time anti-symmetry processes. We also report the weight of the time anti-symmetry processes in the total processes of each the games. Evidences in laboratory marketing experiments, at the same time, are provided as one-dimension cases. In these cases, time anti-symmetry cycles can also be captured. The proposition of time anti-symmetry processes is small, but the cycles are distinguishable.

  14. The phase equilibriums in the NH4Cl-CaCl2-H2O system at 50 and 75°C and their Pitzer model representations

    NASA Astrophysics Data System (ADS)

    Zhang, Run-Zhi; Yang, Ji-Min; Zhang, Li; Xu, Chun-Yan

    2014-12-01

    The solubilities and refractive indexes in the NH4Cl-CaCl2-H2O system were measured at 50 and 75°C and the phase diagrams were constructed on the basis of the experimental data. The mixing parameters and equilibrium constant K sp were evaluated using the Pitzer ion-interaction model representations. The results obtained were in good agreement with the experimental data. The mixed parameters of Pitzer ion-interaction model and equilibrium constant obtained in the work can furthermore be applied to solubility predictions of more complicated systems containing NH4Cl and CaCl2.

  15. Experimental study of the hot electron plasma equilibrium in a minimum-B magnetic mirror

    SciTech Connect

    Chen, X.; Lane, B.G.; Smatlak, D.L.; Post, R.S.; Hokin, S.A.

    1989-03-01

    The Constance B mirror (in Plasma Physics and Controlled Nuclear Fusion Research 1984 (IAEA, Vienna, 1985), Vol. II, p. 285) is a single cell quadrupole magnetic mirror in which high-beta (typically 0.3), hot electron plasmas (T/sub e/approx. =400 keV) are created with up to 4 kW of fundamental electron cyclotron resonance heating (ECRH). Details of the plasma equilibrium profile are quantitatively determined by fitting model plasma pressure profiles to the data from four complementary measurements: diamagnetic loops and magnetic probes, x-ray pinhole cameras, visible light TV cameras, and thermocouple probes. The experimental analysis shows that the equilibrium pressure profile of an ECRH generated plasma in a baseball magnetic mirror is hollow and the plasma is concentrated along a baseball-seam-shaped curve. The hollowness of the hot electron density profile is 50% +- 10%. The baseball-seam-shaped equilibrium profile coincides with the drift orbit of deeply trapped electrons in the quadrupole mirror field. Particle drift reversal is predicted to occur for the model pressure profile that best fits the experimental data under the typical operating conditions.

  16. Equilibrium Liquid Crystal Phase Diagrams and Detection of Kinetic Arrest in Cellulose Nanocrystal Suspensions

    NASA Astrophysics Data System (ADS)

    Honorato Rios, Camila; Kuhnhold, Anja; Bruckner, Johanna; Dannert, Rick; Schilling, Tanja; Lagerwall, Jan

    2016-05-01

    The cholesteric liquid crystal self-assembly of water-suspended cellulose nanocrystal (CNC) into a helical arrangement was observed already more than 20 years ago and the phenomenon was used to produce iridescent solid films by evaporating the solvent or via sol-gel processing. Yet it remains challenging to produce optically uniform films and to control the pitch reproducibly, reflecting the complexity of the three-stage drying process that is followed in preparing the films. An equilibrium liquid crystal phase formation stage is followed by a non-equilibrium kinetic arrest, which in turn is followed by structural collapse as the remaining solvent is evaporated. Here we focus on the first of these stages, combining a set of systematic rheology and polarizing optics experiments with computer simulations to establish a detailed phase diagram of aqueous CNC suspensions with two different values of the surface charge, up to the concentration where kinetic arrest sets in. We also study the effect of varying ionic strength of the solvent. Within the cholesteric phase regime, we measure the equilibrium helical pitch as a function of the same parameters. We report a hitherto unnoticed change in character of the isotropic-cholesteric transition at increasing ionic strength, with a continuous weakening of the first-order character up to the point where phase coexistence is difficult to detect macroscopically due to substantial critical fluctuations.

  17. Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

    NASA Astrophysics Data System (ADS)

    Kumar, Sugam; Mehan, S.; Aswal, V. K.; Schwein, R.

    2016-05-01

    Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

  18. Studies of the tautomeric equilibrium of 1,3-thiazolidine-2-thione: Theoretical and experimental approaches

    NASA Astrophysics Data System (ADS)

    Abbehausen, Camilla; de Paiva, Raphael E. F.; Formiga, André L. B.; Corbi, Pedro P.

    2012-10-01

    The tautomeric equilibrium of the thione/thiol forms of 1,3-thiazolidine-2-thione was studied by nuclear magnetic resonance, infrared and ultraviolet-visible spectroscopies. Density functional theory was used to support the experimental data and indicates the predominance of the thione tautomer in the solid state, being in agreement with previously reported crystallographic data. In solution, the tautomeric equilibrium was evaluated using 1H NMR at different temperatures in four deuterated solvents acetonitrile, dimethylsulfoxide, chloroform and methanol. The equilibrium constants, K = (thiol)/(thione), and free Gibbs energies were obtained by integration of N bonded hydrogen signals at each temperature for each solvent, excluding methanol. The endothermic tautomerization is entropy-driven and the combined effect of solvent and temperature can be used to achieve almost 50% thiol concentrations in solution. The nature of the electronic transitions was investigated theoretically and the assignment of the bands was made using time-dependent DFT as well as the influence of solvent on the energy of the most important bands of the spectra.

  19. Equilibrium 2H/ 1H fractionations in organic molecules: I. Experimental calibration of ab initio calculations

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Sessions, Alex L.; Nielsen, Robert J.; Goddard, William A., III

    2009-12-01

    Carbon-bound hydrogen in sedimentary organic matter can undergo exchange over geologic timescales, altering its isotopic composition. Studies investigating the natural abundance distribution of 1H and 2H in such molecules must account for this exchange, which in turn requires quantitative knowledge regarding the endpoint of exchange, i.e., the equilibrium isotopic fractionation factor ( α eq). To date, relevant data have been lacking for molecules larger than methane. Here we describe an experimental method to measure α eq for C-bound H positions adjacent to carbonyl group (H α) in ketones. H at these positions equilibrates on a timescale of days as a result of keto-enol tautomerism, allowing equilibrium 2H/ 1H distributions to be indirectly measured. Molecular vibrations for the same ketone molecules are then computed using Density Functional Theory at the B3LYP/6-311G∗∗ level and used to calculate α eq values for H α. Comparison of experimental and computational results for six different straight and branched ketones yields a temperature-dependent linear calibration curve with slope = 1.081-0.00376 T and intercept = 8.404-0.387 T, where T is temperature in degrees Celsius. Since the dominant systematic error in the calculation (omission of anharmonicity) is of the same size for ketones and C-bound H in most other linear compounds, we propose that this calibration can be applied to analogous calculations for a wide variety of organic molecules with linear carbon skeletons for temperatures below 100 °C. In a companion paper ( Wang et al., 2009) we use this new calibration dataset to calculate the temperature-dependent equilibrium isotopic fractionation factors for a range of linear hydrocarbons, alcohols, ethers, ketones, esters and acids.

  20. Gas-phase water-mediated equilibrium between methylglyoxal and its geminal diol

    PubMed Central

    Axson, Jessica L.; Takahashi, Kaito; De Haan, David O.; Vaida, Veronica

    2010-01-01

    In aqueous solution, aldehydes, and to a lesser extent ketones, hydrate to form geminal diols. We investigate the hydration of methylglyoxal (MG) in the gas phase, a process not previously considered to occur in water-restricted environments. In this study, we spectroscopically identified methylglyoxal diol (MGD) and obtained the gas-phase partial pressures of MG and MGD. These results, in conjunction with the relative humidity, were used to obtain the equilibrium constant, KP, for the water-mediated hydration of MG in the gas phase. The Gibbs free energy for this process, ΔG°, obtained as a result, suggests a larger than expected gas-phase diol concentration. This may have significant implications for understanding the role of organics in atmospheric chemistry. PMID:20142510

  1. Experimental study of phase separation in dividing two phase flow

    SciTech Connect

    Qian Yong; Yang Zhilin; Xu Jijun

    1996-12-31

    Experimental study of phase separation of air-water two phase bubbly, slug flow in the horizontal T-junction is carried out. The influences of the inlet mass quality X1, mass extraction rate G3/G1, and fraction of extracted liquid QL3/QL1 on phase separation characteristics are analyzed. For the first time, the authors have found and defined pulsating run effect by the visual experiments, which show that under certain conditions, the down stream flow of the T-junction has strangely affected the phase redistribution of the junction, and firstly point out that the downstream geometric condition is very important to the study of phase separation phenomenon of two-phase flow in a T-junction. This kind of phenomenon has many applications in the field of energy, power, petroleum and chemical industries, such as the loss of coolant accident (LOCA) caused by a small break in a horizontal coolant pipe in nuclear reactor, and the flip-flop effect in the natural gas transportation pipeline system, etc.

  2. Analytical Phase Equilibrium Function for Mixtures Obeying Raoult's and Henry's Laws

    NASA Astrophysics Data System (ADS)

    Hayes, Robert

    When a mixture of two substances exists in both the liquid and gas phase at equilibrium, Raoults and Henry's laws (ideal solution and ideal dilute solution approximations) can be used to estimate the gas and liquid mole fractions at the extremes of either very little solute or solvent. By assuming that a cubic polynomial can reasonably approximate the intermediate values to these extremes as a function of mole fraction, the cubic polynomial is solved and presented. A closed form equation approximating the pressure dependence on mole fraction of the constituents is thereby obtained. As a first approximation, this is a very simple and potentially useful means to estimate gas and liquid mole fractions of equilibrium mixtures. Mixtures with an azeotrope require additional attention if this type of approach is to be utilized. This work supported in part by federal Grant NRC-HQ-84-14-G-0059.

  3. Analytical Phase Equilibrium Function for Mixtures Obeying Raoult's and Henry's Laws

    NASA Astrophysics Data System (ADS)

    Hayes, Robert

    When a mixture of two substances exists in both the liquid and gas phase at equilibrium, Raoults and Henry's laws (ideal solution and ideal dilute solution approximations) can be used to estimate the gas and liquid mole fractions at the extremes of either very little solute or solvent. By assuming that a cubic polynomial can reasonably approximate the intermediate values to these extremes as a function of mole fraction, the cubic polynomial is solved and presented. A closed form equation approximating the pressure dependence on mole fraction of the constituents is thereby obtained. As a first approximation, this is a very simple and potentially useful means to estimate gas and liquid mole fractions of equilibrium mixtures. Mixtures with an azeotrope require additional attention if this type of approach is to be utilized. This work paid for under NRC-HQ-84-14-G-0059.

  4. Calculating Equilibrium Phase Distribution during the Formation of Secondary Organic Aerosol Using COSMOtherm.

    PubMed

    Wang, Chen; Goss, Kai-Uwe; Lei, Ying Duan; Abbatt, Jonathan P D; Wania, Frank

    2015-07-21

    Challenges in the parametrization of compound distribution between the gas and particle phase contribute significantly to the uncertainty in the prediction of secondary organic aerosol (SOA) formation and are rooted in the complexity and variability of atmospheric condensed matter, which includes water, salts, and a multitude of organic oxidation products, often in two separated phases. Here, we explore the use of the commercial quantum-chemistry-based software COSMOtherm to predict equilibrium partitioning and Setchenow coefficients of a suite of oxidation products of α-pinene ozonolysis in an aerosol that is assumed to separate into an organic-enriched phase and an electrolyte-enriched aqueous phase. The predicted coefficients are used to estimate the phase distribution of the organic compounds, water and ammonium sulfate, the resulting phase composition, and the SOA yield. Four scenarios that differ in terms of organic loading, liquid water content, and chemical aging are compared. The organic compounds partition preferentially to the organic phase rather than the aqueous phase for the studied aerosol scenarios, partially due to the salting-out effect. Extremely low volatile organic compounds are predicted to be the dominant species in the organic aerosols at low loadings and an important component at higher loadings. The highest concentration of oxidation products in the condensed phase is predicted for a scenario assuming the presence of non-phase-separated cloud droplets. Partitioning into an organic aerosol phase composed of the oxidation products is predicted to be similar to partitioning into a phase composed of a single organic surrogate molecule, suggesting that the calculation procedure can be simplified without major loss of accuracy. COSMOtherm is shown to produce results that are comparable to those obtained using group contribution methods. COSMOtherm is likely to have a much larger application domain than those group contribution methods because

  5. Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

    NASA Technical Reports Server (NTRS)

    Yeh, Leehwa

    1993-01-01

    The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite-mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena.

  6. Entropy analysis on non-equilibrium two-phase flow models

    SciTech Connect

    Karwat, H.; Ruan, Y.Q.

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  7. Phase equilibriums, self-assembly and interactions in two-, three- and four medium-chain length component systems.

    PubMed

    Rosenholm, Jarl B

    2014-03-01

    The Scandinavian surface (surfactant) and colloid science owes much of its success to Per Ekwall and Björn Lindman. In this review the main topics shared by their research groups at Åbo Akademi University in Finland and at Lund University in Sweden are described. The nature of surface active substances (cosolvents, co-surfactants and surfactants) and microemulsions are evaluated. It is shown that the properties of medium-chain length surfactants differ dramatically from long-chain surfactants. The phase equilibriums of binary systems are related to the phase equilibriums of ternary and quaternary systems referred to as microemulsions or more recently also as nanoemulsions. A distinction is made between hydrotrope liquids, detergentless microemulsions, surfactant mixture systems and microemulsions. Three component systems are assembled to "true" quaternary microemulsions. An exceptionally comprehensive network of thermodynamic parameters describing molecular site exchange and micelle formation are derived and related mutually. Gibbs free energy, enthalpy, entropy, volume, heat capacity, expansivity and compressibility can be used to illustrate the degree of aggregation cooperativity and to evaluate whether micelle formation is of a first-, second- or intermediate order phase transition. Theoretical simulations and experimental results show that the associate structures of medium-chain length surfactants are quite open and may be deformed due to small aggregation numbers. The self-assembly occurs over a number of distinct steps at a series of experimentally detectable critical concentrations. Despite the low aggregation tendency their phase behavior equals those of long-chain homologs in surfactant mixture and microemulsion systems. A number of models describing the self-assembly are reviewed. Nuclear magnetic resonance (shift, relaxation rate and diffusion), Laser Raman and infrared spectroscopies were chosen as key instruments for molecular interaction

  8. Improving the quality of the experimental reconstructions as the initial equilibrium state for the NIMROD code

    NASA Astrophysics Data System (ADS)

    King, Jacob; Kruger, Scott; NIMROD Team

    2014-10-01

    High quality equilibria are essential for extended-MHD modeling with the initial-value NIMROD code. Typically the spatial resolution requirements for extended-MHD modeling, which must resolve singular-layer physics and highly anisotropic diffusion, are more stringent than the resolution of equilibrium reconstructions from experimental discharges. With the current workflow, reconstructed fields are mapped onto the NIMROD finite-element grid, and the disparity between the coarse resolution reconstruction and the fine resolution FE grid can create artificial small-scale artifacts. Extended-MHD modeling, which contains many high-order differential operators, can be corrupted by the mapping errors. We describe efforts to re-solve the Grad-Shafranov equation with open-flux regions using the NIMEQ solver to generate a new equilibrium while using the mapped results for both an initial guess and to specify the boundary conditions. Effects on computations with and without the re-solving for force balance will be described. Work funded by US DOE.

  9. Unusual dileptions at RHIC a field theoretic approach based on a non-equilibrium chiral phase transition

    SciTech Connect

    Cooper, F.

    1997-09-22

    This paper contains viewgraphs on unusual dileptons at Brookhaven RHIC. A field theory approach is used based on a non-equilibrium chiral phase transformation utilizing the schroedinger and Heisenberg picture.

  10. Experimental clean combustor program, phase 2

    NASA Technical Reports Server (NTRS)

    Gleason, C. C.; Rogers, D. W.; Bahr, D. W.

    1976-01-01

    The primary objectives of this three-phase program are to develop technology for the design of advanced combustors with significantly lower pollutant emission levels than those of current combustors, and to demonstrate these pollutant emission reductions in CF6-50C engine tests. The purpose of the Phase 2 Program was to further develop the two most promising concepts identified in the Phase 1 Program, the double annular combustor and the radial/axial staged combustor, and to design a combustor and breadboard fuel splitter control for CF6-50 engine demonstration testing in the Phase 3 Program. Noise measurement and alternate fuels addendums to the basic program were conducted to obtain additional experimental data. Twenty-one full annular and fifty-two sector combustor configurations were evaluated. Both combustor types demonstrated the capability for significantly reducing pollutant emission levels. The most promising results were obtained with the double annular combustor. Rig test results corrected to CF-50C engine conditions produced EPA emission parameters for CO, HC, and NOX of 3.4, 0.4, and 4.5 respectively. These levels represent CO, HC, and NOX reductions of 69, 90, and 42 percent respectively from current combustor emission levels. The combustor also met smoke emission level requirements and development engine performance and installation requirements.

  11. PHASE-OTI: A pre-equilibrium model code for nuclear reactions calculations

    NASA Astrophysics Data System (ADS)

    Elmaghraby, Elsayed K.

    2009-09-01

    The present work focuses on a pre-equilibrium nuclear reaction code (based on the one, two and infinity hypothesis of pre-equilibrium nuclear reactions). In the PHASE-OTI code, pre-equilibrium decays are assumed to be single nucleon emissions, and the statistical probabilities come from the independence of nuclei decay. The code has proved to be a good tool to provide predictions of energy-differential cross sections. The probability of emission was calculated statistically using bases of hybrid model and exciton model. However, more precise depletion factors were used in the calculations. The present calculations were restricted to nucleon-nucleon interactions and one nucleon emission. Program summaryProgram title: PHASE-OTI Catalogue identifier: AEDN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5858 No. of bytes in distributed program, including test data, etc.: 149 405 Distribution format: tar.gz Programming language: Fortran 77 Computer: Pentium 4 and Centrino Duo Operating system: MS Windows RAM: 128 MB Classification: 17.12 Nature of problem: Calculation of the differential cross section for nucleon induced nuclear reaction in the framework of pre-equilibrium emission model. Solution method: Single neutron emission was treated by assuming occurrence of the reaction in successive steps. Each step is called phase because of the phase transition nature of the theory. The probability of emission was calculated statistically using bases of hybrid model [1] and exciton model [2]. However, more precise depletion factor was used in the calculations. Exciton configuration used in the code is that described in earlier work [3]. Restrictions: The program is restricted to single nucleon emission and nucleon

  12. Canonical deformations of surfaces of equilibrium states in thermodynamic phase space

    PubMed

    Jurkowski

    2000-08-01

    Deformations of submanifolds of thermodynamic equilibrium states introduced by continuous contact maps on a phase-space manifold are considered in terms of the geometrical formulation of thermodynamics. The notion of a contact Hamiltonian is recalled in order to give some possible physical interpretations of such a function in terms of statistical quantities describing initial and deformed systems. Using contact flows we propose a very efficient method for constructing continuous families of thermodynamic systems. A few examples show the possible advantages of using contact Hamiltonians. PMID:11088641

  13. Entropic description of gas hydrate ice/liquid equilibrium via enhanced sampling of coexisting phases

    SciTech Connect

    Malolepsza, Edyta; Kim, Jaegil; Keyes, Tom

    2015-04-28

    Metastable β ice holds small guest molecules in stable gas hydrates, so its solid/liquid equilibrium is of interest. However, aqueous crystal/liquid transitions are very difficult to simulate. A new MD algorithm generates trajectories in a generalized NPT ensemble and equilibrates states of coexisting phases with a selectable enthalpy. Furthermore, with replicas spanning the range between β ice and liquid water we find the statistical temperature from the enthalpy histograms and characterize the transition by the entropy, introducing a general computational procedure for first-order transitions.

  14. Hydrogen and dry ice production through phase equilibrium separation and methane reforming

    NASA Astrophysics Data System (ADS)

    Posada, Alberto; Manousiouthakis, Vasilios

    A clean hydrogen (99.9999%) and dry ice production process is proposed, which is based on phase equilibrium (PE) separation and methane reforming. Heat and power integration studies are carried out for the proposed process, by formulating and solving the minimum hot/cold/electric utility cost problem for the associated heat exchange network. The optimum operating cost of the proposed process is shown to be lower than the corresponding cost of the conventional PSA (pressure swing adsorption) based process, if the produced dry ice is sold for as low as 2 cents kg-dry-ice -1 or if an equivalent CO 2 sequestration credit is conceded.

  15. Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

    NASA Astrophysics Data System (ADS)

    Małolepsza, Edyta; Kim, Jaegil; Keyes, Tom

    2015-05-01

    Metastable β ice holds small guest molecules in stable gas hydrates, so its solid-liquid equilibrium is of interest. However, aqueous crystal-liquid transitions are very difficult to simulate. A new molecular dynamics algorithm generates trajectories in a generalized N P T ensemble and equilibrates states of coexisting phases with a selectable enthalpy. With replicas spanning the range between β ice and liquid water, we find the statistical temperature from the enthalpy histograms and characterize the transition by the entropy, introducing a general computational procedure for first-order transitions.

  16. Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases.

    PubMed

    Małolepsza, Edyta; Kim, Jaegil; Keyes, Tom

    2015-05-01

    Metastable β ice holds small guest molecules in stable gas hydrates, so its solid-liquid equilibrium is of interest. However, aqueous crystal-liquid transitions are very difficult to simulate. A new molecular dynamics algorithm generates trajectories in a generalized NPT ensemble and equilibrates states of coexisting phases with a selectable enthalpy. With replicas spanning the range between β ice and liquid water, we find the statistical temperature from the enthalpy histograms and characterize the transition by the entropy, introducing a general computational procedure for first-order transitions. PMID:25978217

  17. Equilibrium structure and relative stability of glyceraldehyde conformers: Gas-phase electron diffraction (GED) and quantum-chemical studies

    NASA Astrophysics Data System (ADS)

    Vogt, Natalja; Atavin, Evgenii G.; Rykov, Anatolii N.; Popov, Evgenii V.; Vilkov, Lev V.

    2009-11-01

    For the first time, the five dimensional (5-D) analysis of potential energy surface (PES) from quantum-chemical calculations was carried out to predict reliably the various glyceraldehyde (GLA) conformers. 36 conformers with relative stabilities up to 38 kJ/mol were found in the B3LYP approximation. According to results of MP2/cc-pVQZ calculations, the molecule exists at the experimental temperature of 388 K as a mixture of five conformers in the ratio I:II:III:IV:V = 63:18:4:10:5. Contrary to the theoretical conclusion of Lovas et al., the conformer IV is predicted to be more stable than the conformer III. Our result can explain why the conformer IV could be detected in the microwave (MW) spectroscopic experiment by Lovas et al., whereas the conformer III could not. For the first time, thermal-average and equilibrium structural parameters of GLA (main conformer) have been determined from gas-phase electron diffraction (GED) data. Vibrational corrections to the experimental bond lengths were determined using quadratic and cubic force constants from high-level ab initio calculations (MP2/cc-pVTZ). It was shown that the experimental intensities are sensitive to the contribution of the second conformer (27(15)%). Rotational constants calculated from MP2/cc-pVQZ geometries were found to be in excellent agreement with the experimental rotational constants corrected for anharmonic effects.

  18. Equilibrium phase diagrams and water absorption properties of aqueous mixtures of malonic acid and inorganic salts.

    NASA Astrophysics Data System (ADS)

    Salcedo, D.; Salgado-Olea, G.

    2006-12-01

    Tropospheric aerosols are usually complex mixtures of inorganic and organic components. Although the thermodynamic properties of inorganic aerosols have been widely studied, the effect of organics on such properties is still under discussion. Solubility in water, water activity of aqueous solutions, deliquescence relative humidity (DRH), eutonic composition, and eutonic DRH were determined for bulk mixtures of malonic acid with ammonium sulfate, ammonium bisulfate, and ammonium nitrate at 25oC over the full range of composition (from 0 wt% to the solubility limit of the mixture components). The data was used to construct equilibrium phase diagrams, which show the phase of the mixtures as a function of total composition, dry mixture composition, water content, and ambient relative humidity. Measured water activity of liquid solutions was compared with an extended Zdanovskii-Stokes-Robinson (ZSR) expression, which then was used to predict water absorption of the mixtures.

  19. Tables of phase functions, opacities, albedos, equilibrium temperatures, and radiative accelerations of dust grains in exoplanets

    NASA Astrophysics Data System (ADS)

    Budaj, J.; Kocifaj, M.; Salmeron, R.; Hubeny, I.

    2015-11-01

    There has been growing observational evidence for the presence of condensates in the atmospheres and/or comet-like tails of extrasolar planets. As a result, systematic and homogeneous tables of dust properties are useful in order to facilitate further observational and theoretical studies. In this paper we present calculations and analysis of non-isotropic phase functions, asymmetry parameter (mean cosine of the scattering angle), absorption and scattering opacities, single scattering albedos, equilibrium temperatures, and radiative accelerations of dust grains relevant for extrasolar planets. Our assumptions include spherical grain shape, Deirmendjian particle size distribution, and Mie theory. We consider several species: corundum/alumina, perovskite, olivines with 0 and 50 per cent iron content, pyroxenes with 0, 20, and 60 per cent iron content, pure iron, carbon at two different temperatures, water ice, liquid water, and ammonia. The presented tables cover the wavelength range of 0.2-500 μm and modal particle radii from 0.01 to 100 μm. Equilibrium temperatures and radiative accelerations assume irradiation by a non-blackbody source of light with temperatures from 7000 to 700 K seen at solid angles from 2π to 10-6 sr. The tables are provided to the community together with a simple code which allows for an optional, finite, angular dimension of the source of light (star) in the phase function.

  20. An experimental and thermodynamic equilibrium investigation of the Pb, Zn, Cr, Cu, Mn and Ni partitioning during sewage sludge incineration.

    PubMed

    Liu, Jingyong; Fu, Jiewen; Ning, Xun'an; Sun, Shuiyu; Wang, Yujie; Xie, Wuming; Huang, Shaosong; Zhong, Sheng

    2015-09-01

    The effects of different chlorides and operational conditions on the distribution and speciation of six heavy metals (Pb, Zn, Cr, Cu, Mn and Ni) during sludge incineration were investigated using a simulated laboratory tubular-furnace reactor. A thermodynamic equilibrium investigation using the FactSage software was performed to compare the experimental results. The results indicate that the volatility of the target metals was enhanced as the chlorine concentration increased. Inorganic-Cl influenced the volatilization of heavy metals in the order of Pb>Zn>Cr>Cu>Mn>Ni. However, the effects of organic-Cl on the volatility of Mn, Pb and Cu were greater than the effects on Zn, Cr and Ni. With increasing combustion temperature, the presence of organic-Cl (PVC) and inorganic-Cl (NaCl) improved the transfer of Pb and Zn from bottom ash to fly ash or fuse gas. However, the presence of chloride had no obvious influence on Mn, Cu and Ni. Increased retention time could increase the volatilization rate of heavy metals; however, this effect was insignificant. During the incineration process, Pb readily formed PbSiO4 and remained in the bottom ash. Different Pb compounds, primarily the volatile PbCl2, were found in the gas phase after the addition of NaCl; the dominant Pb compounds in the gas phase after the addition of PVC were PbCl2, Pb(ClO4)2 and PbCl2O4. PMID:26354691

  1. Consideration of a Phase Change Model Based on Apparent Phase Equilibrium

    NASA Astrophysics Data System (ADS)

    Kashiwada, S.; Iga, Y.

    2015-12-01

    It has been known that cavity volume is underestimated and there is a discrepancy between predicted and measured breakdown characteristics for the numerical simulation of unsteady cavitation around a hydrofoil at high angle of attack. Therefore, in this study, in order to predict the cavity volume with high accuracy, the phenomena that gas phase increases even at a pressure higher than saturated vapour pressure which is known as aeration is modelled, and applied to phase change term. It was assumed that the precipitation of dissolved air is promoted by mechanical stimulation such as Reynolds stress in unsteady flow. The effectivity of the proposed model is discussed through the comparison among some kinds of components of the pressure variation.

  2. Phase transformations in the system Cu-Zn-Al under conditions far from equilibrium

    NASA Astrophysics Data System (ADS)

    Klopotov, Anatolii; Ivanov, Yuri; Vlasov, Viktor; Dedov, Nikolai; Loskutov, Oleg

    2016-01-01

    It is shown that the alloy Cu-Zn-Al is a multiphase material. Under equilibrium conditions this alloy can form an α-phase (FCC crystalline lattice) and a β-phase (simple cubic crystalline lattice) based on copper. The possibility of formation of a γ-phase due to a three-component alloy composition is revealed. It is established that different chemical composition of the copper-based solid solution (alloys with zinc or alloys with aluminum), different concentration of the second element in a solid solution leads to the fact that within the same type of the crystalline lattice there is a certain amount of α- and γ-phases, differing in the parameter value of the crystalline lattice. The possibility of formation of powder alloys with an x-ray amorphous and a nanocrystalline structure using the plasma chemical synthesis methods is demonstrated. A wide variety of binary phases, each with different concentrations of zinc and aluminum in a solid copper-based solution is revealed. These results indicate that plasma-chemical synthesis of metal alloy powders is accompanied by separation of elements. Powders of the ternary composition are not detected.

  3. Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?

    PubMed

    Trefz, Benjamin; Das, Subir K; Egorov, Sergei A; Virnau, Peter; Binder, Kurt

    2016-04-14

    We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active species can only be realized at large time scales. Despite this, we have been able to construct an equilibrium approach to obtain the structural properties of such inherently out-of-equilibrium systems. In this method, effective inter-particle potentials were constructed via IET by taking structural inputs from the MD simulations of the active system. These potentials in turn were used in passive MD simulations, results from which are observed to be in fair agreement with the original ones. PMID:27083747

  4. Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?

    NASA Astrophysics Data System (ADS)

    Trefz, Benjamin; Das, Subir K.; Egorov, Sergei A.; Virnau, Peter; Binder, Kurt

    2016-04-01

    We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active species can only be realized at large time scales. Despite this, we have been able to construct an equilibrium approach to obtain the structural properties of such inherently out-of-equilibrium systems. In this method, effective inter-particle potentials were constructed via IET by taking structural inputs from the MD simulations of the active system. These potentials in turn were used in passive MD simulations, results from which are observed to be in fair agreement with the original ones.

  5. Immunodominance: a new hypothesis to explain parasite escape and host/parasite equilibrium leading to the chronic phase of Chagas' disease?

    PubMed

    Rodrigues, M M; Alencar, B C G de; Claser, C; Tzelepis, F

    2009-03-01

    Intense immune responses are observed during human or experimental infection with the digenetic protozoan parasite Trypanosoma cruzi. The reasons why such immune responses are unable to completely eliminate the parasites are unknown. The survival of the parasite leads to a parasite-host equilibrium found during the chronic phase of chagasic infection in most individuals. Parasite persistence is recognized as the most likely cause of the chagasic chronic pathologies. Therefore, a key question in Chagas' disease is to understand how this equilibrium is established and maintained for a long period. Understanding the basis for this equilibrium may lead to new approaches to interventions that could help millions of individuals at risk for infection or who are already infected with T. cruzi. Here, we propose that the phenomenon of immunodominance may be significant in terms of regulating the host-parasite equilibrium observed in Chagas' disease. T. cruzi infection restricts the repertoire of specific T cells generating, in some cases, an intense immunodominant phenotype and in others causing a dramatic interference in the response to distinct epitopes. This immune response is sufficiently strong to maintain the host alive during the acute phase carrying them to the chronic phase where transmission usually occurs. At the same time, immunodominance interferes with the development of a higher and broader immune response that could be able to completely eliminate the parasite. Based on this, we discuss how we can interfere with or take advantage of immunodominance in order to provide an immunotherapeutic alternative for chagasic individuals. PMID:19287899

  6. Out-of-equilibrium phase re-entrance(s) in long-range interacting systems

    SciTech Connect

    Staniscia, F.; Chavanis, P. H.; De Ninno, G.; Fanelli, D.

    2009-08-15

    Systems with long-range interactions display a short-time relaxation toward quasistationary states (QSSs) whose lifetime increases with system size. The application of Lynden-Bell's theory of 'violent relaxation' to the Hamiltonian Mean Field model leads to the prediction of out-of-equilibrium first- and second-order phase transitions between homogeneous (zero magnetization) and inhomogeneous (nonzero magnetization) QSSs, as well as an interesting phenomenon of phase re-entrances. We compare these theoretical predictions with direct N-body numerical simulations. We confirm the existence of phase re-entrance in the typical parameter range predicted from Lynden-Bell's theory, but also show that the picture is more complicated than initially thought. In particular, we exhibit the existence of secondary re-entrant phases: we find unmagnetized states in the theoretically magnetized region as well as persisting magnetized states in the theoretically unmagnetized region. We also report the existence of a region with negative specific heats for QSSs both in the numerical and analytical caloric curves.

  7. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    SciTech Connect

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

  8. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    DOE PAGESBeta

    Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

  9. Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

    SciTech Connect

    Wang, Chi-Jen; Liu, Da-Jiang; Evans, James W.

    2015-04-28

    Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

  10. Solid-liquid phase equilibrium for binary Lennard-Jones mixtures

    NASA Astrophysics Data System (ADS)

    Hitchcock, Monica R.; Hall, Carol K.

    1999-06-01

    Solid-liquid phase diagrams are calculated for binary mixtures of Lennard-Jones spheres using Monte Carlo simulation and the Gibbs-Duhem integration technique of Kofke. We calculate solid-liquid phase diagrams for the model Lennard-Jones mixtures: argon-methane, krypton-methane, and argon-krypton, and compare our simulation results with experimental data and with Cottin and Monson's recent cell theory predictions. The Lennard-Jones model simulation results and the cell theory predictions show qualitative agreement with the experimental phase diagrams. One of the mixtures, argon-krypton, has a different phase diagram than its hard-sphere counterpart, suggesting that attractive interactions are an important consideration in determining solid-liquid phase behavior. We then systematically explore Lennard-Jones parameter space to investigate how solid-liquid phase diagrams change as a function of the Lennard-Jones diameter ratio, σ11/σ22, and well-depth ratio, ɛ11/ɛ22. This culminates in an estimate of the boundaries separating the regions of solid solution, azeotrope, and eutectic solid-liquid phase behavior in the space spanned by σ11/σ22 and ɛ11/ɛ22 for the case σ11/σ22<0.85.

  11. Equilibrium thermodynamics of radiation defect clusters in δ-phase Pu-Ga alloys

    NASA Astrophysics Data System (ADS)

    Karavaev, A. V.; Dremov, V. V.; Ionov, G. V.

    2016-01-01

    The paper presents a theoretical investigation into the response of δ-phase Pu-Ga alloys to self-irradiation. Using classical molecular dynamics we investigate the long-term behavior of primary radiation defects (vacancies) in the face-centered cubic lattice of the alloys under ambient conditions. High diffusive migration energy barriers and the corresponding low mobility of vacancies do not allow us to track their dynamics in the lattice by direct molecular dynamics simulations. Instead, we use the Helmholtz free energy to investigate the equilibrium thermodynamics of metastable microconfigurations of Pu-Ga crystals with artificially introduced vacancy clusters in various regular and random configurations. The Helmholtz free energy of the microconfigurations are calculated with the thermodynamic integration method. Based on the free energy evaluation we draw conclusions about the relative thermodynamic stability of various microconfigurations under ambient conditions. The equilibrium parameters of vacancy clusters in the bulk of the lattice and in the presence of edge dislocations are estimated.

  12. Rare Earth Element - Humic Acid Interaction: Experimental Evidence for Kinetic and Equilibrium Fractionation in Aqueous Systems.

    NASA Astrophysics Data System (ADS)

    Sonke, J. E.; Salters, V. J.; Benedetti, M. F.

    2003-12-01

    Dissolved organic matter (DOM) is well known for it's strong binding capacity for trace metals. In order to better predict the role of DOM in the speciation and transport of trace metals in the environment we coupled capillary electrophoresis (CE), a molecular separation technique, to a Sector Field Inductively Coupled Plasma Mass Spectrometer (SF-ICP-MS). The combination of these two techniques allows for the study of non-labile metal speciation in aquatic samples. By separating Rare Earth Element (REE) complexes with EDTA and Humic Acid's (i.e. ligand competition) we have been able to determine conditional equilibrium binding constants (Kc) and kinetic rate constants for all 14 REE's with Humic (HA) and Fulvic Acids (FA) as a function of pH (6-9) and ionic strength (IS, 0.01-0.1 mol/L). Assuming a 1:1 binding mechanism, logKc values for REE-FA varied from 9.0 (La) to 10.5 (Lu) at pH 6, 0.1 mol/L IS, and 11.7 (La) to 14.6 (Lu) at pH 9, 0.1 mol/L IS. LogKc values for REE-HA were 10.6 (La) to 12.2 (Lu) at pH 6, 0.1 mol/L IS and 13.2 (La) to 16.5 (Lu) at pH 9, 0.1 mol/L IS. Slightly higher values for Kc were obtained at 0.01 mol/L IS. The general observations of stronger REE-HA binding compared to REE-FA, and stronger binding with increasing pH and decreasing IS correlate with our current understanding of metal-DOM interactions (1). Both Kc's as well as kinetic rate constants increase with increasing REE mass number (decreasing ionic radius); a reflection of the well-known lanthanide contraction. This is the first comprehensive metal binding dataset between REE and DOM, and the first experimental evidence for differential equilibrium and kinetic binding behavior between REE's and DOM. The 30-1000 fold increase in binding strength of heavy REE's with DOM provides for a an equilibrium fractionation mechanism that may explain features of the global geochemical REE cycle such as fractionation related to weathering, estuarine mixing, and REE scavenging in the deep ocean

  13. Experimental realization of atomtronic circuit elements in non-equilibrium ultracold atomic systems

    NASA Astrophysics Data System (ADS)

    Caliga, Seth C.

    Research in the field of atomtronics aims to develop a new paradigm for the use of ultracold atomic systems in a manner that mimics the functionality of electronic circuits and devices. Given the ubiquity of the electronic transistor and its application to a vast array of signal processing tasks, the development of its atomtronic counterpart is of significant interest. This dissertation presents the experimental studies of two atomtronic circuit elements: a battery and transistor. Experiments are conducted in an atom-chip-based apparatus utilizing hybrid magnetic and optical trapping techniques that enable one to ``pattern" atomtronic circuit elements. An atomtronic battery is realized in a double-well trapping potential in which a finite-temperature Bose-Einstein condensate is prepared in a non-equilibrium state to generate thermodynamic gradients that drive atom current flow. Powered by the atomtronic battery, a triple-well atomtronic transistor is demonstrated, and quasi-steady-state behavior of the device is characterized. Results are found to be in agreement with a semiclassical model of the transistor that is also used to study the active properties of the device, including current gain. Based on these results, future directions regarding signal processing operations are proposed.

  14. Statistical enhancement of a dynamic equilibrium-based damage identification strategy: Theory and experimental validation

    NASA Astrophysics Data System (ADS)

    Xu, Hao; Lu, Bo; Su, Zhongqing; Cheng, Li

    2015-09-01

    A previously developed damage identification strategy, named Pseudo-Excitation (PE), was enhanced using a statistical processing approach. In terms of the local dynamic equilibrium of the structural component under inspection, the distribution of its vibration displacements, which are of necessity to construct the damage index in the PE, was re-defined using sole dynamic strains based on the statistical method. On top of those advantages inheriting from the original PE compared with traditional vibration-based damage detection including the independence of baseline signals and pre-developed benchmark structures, the enhanced PE (EPE) possesses improved immunity to the interference of measurement noise. Moreover, the EPE can facilitate practical implementation of online structural health monitoring, benefiting from the use of sole strain information. Proof-of-concept numerical study was conducted to examine the feasibility and accuracy of the EPE, and the effectiveness of the proposed statistical enhancement in re-constructing the vibration displacements was evaluated under noise influence; experimental validation was followed up by characterizing multi-cracks in a beam-like structure, in which the dynamic strains were measured using Lead zirconium titanate (PZT) sensors. For comparison, the original PE, the Gapped Smoothing Method (GSM), and the EPE were respectively used to evaluate the cracks. It was observed from the damage identification results that both the GSM and EPE were able to achieve higher identification accuracy than the original PE, and the robustness of the EPE in damage identification was proven to be superior than that of the GSM.

  15. Damage of Honeybee Colonies and Non-Equilibrium Percolation Phase Transition

    NASA Astrophysics Data System (ADS)

    Zhang, Peipei; Su, Beibei; He, Da-Ren

    Recently the mechanism of the damage caused by invasion of Apis mellifera capensis honeybee into the normal A. M. Scutellata colonies became interesting for scientists due to the fact that the mechanism may resemble those of cancer vicious hyperplasia, spreading of some epidemic, and turbulence of society induced by some bad society groups. We suggest a new guess that losing control of self-reproduction disturbs and throws information structure of the society into confuse. We simulate the damage process with a cellular automata based on the guess. The simulation shows that the process is equivalent to a non-equilibrium percolation phase transition. This discussion remind us that the management and monitor on the information network between society members may be a more effective way for avoiding the overflow of the destructor sub-colonies.

  16. Chemicals loading in acetylated bamboo assisted by supercritical CO2 based on phase equilibrium data

    NASA Astrophysics Data System (ADS)

    Silviana, Petermann, M.

    2015-12-01

    Indonesia has a large tropical forest. However, the deforestation still appears annually and vastly. This reason drives a use of bamboo as wood alternative. Recently, there are many modifications of bamboo in order to prolong the shelf life. Unfortunately, the processes need more chemicals and time. Based on wood modification, esterifying of bamboo was undertaken in present of a dense gas, i.e. supercritical CO2. Calculation of chemicals loading referred to ASTM D1413-99 by using the phase equilibrium data at optimum condition by a statistical design. The results showed that the acetylation of bamboo assisted by supercritical CO2 required 14.73 kg acetic anhydride/m3 of bamboo for a treatment of one hour.

  17. Impurity-tuned non-equilibrium phase transition in a bacterial carpet

    NASA Astrophysics Data System (ADS)

    Hsiao, Yi-Teng; Wu, Kuan-Ting; Uchida, Nariya; Woon, Wei-Yen

    2016-05-01

    The effects of impurity on the non-equilibrium phase transition in Vibrio alginolyticus bacterial carpets are investigated through a position-sensitive-diode implemented optical tweezers-microsphere assay. The collective flow increases abruptly as we increase the rotation rate of flagella via Na+ concentration. The effects of impurities on the transition behavior are examined by mixing cells of a wild type strain (VIO5) with cells of a mutant strain (NMB136) in different swimming patterns. For dilute impurities, the transition point is shifted toward higher Na+ concentration. Increasing the impurities' ratio to over 0.25 leads to a significant drop in the collective force, suggesting a partial orientational order with a smaller correlation length.

  18. Entropic screening preserves non-equilibrium nature of nematic phase while enthalpic screening destroys it.

    PubMed

    Dan, K; Roy, M; Datta, A

    2016-02-14

    The present manuscript describes the role of entropic and enthalpic forces mediated by organic non-polar (hexane) and polar (methanol) solvents on the bulk and microscopic phase transition of a well known nematic liquid crystalline material MBBA (N-(4-methoxybenzylidene)-4-butylaniline) through Differential Scanning calorimetry (DSC), UV-Visible (UV-Vis), and Fourier Transform Infrared (FTIR) spectroscopy. DSC study indicates continuous linear decreases in both nematic-isotropic (N-I) phase transition temperature and enthalpy of MBBA in presence of hexane while both these parameters show a saturation after an initial decay in methanol. These distinct transitional behaviours were explained in terms of the "depletion force" model for entropic screening in hexane and "screening-self-screening" model for methanol. Heating rate dependent DSC studies find that non-Arrhenius behaviour, characteristic of pristine MBBA and a manifestation of non-equilibrium nature [Dan et al., J. Chem. Phys. 143, 094501 (2015)], is preserved in presence of entropic screening in the hexane solution, while it changes to Arrhenius behaviour (signifying equilibrium behaviour) in presence of enthalpic screening in methanol solution. FTIR spectra show similar dependence on the solvent induced screening in the intensities of the imine (-C = N) stretch and the out-of-plane distortion vibrations of the benzene rings of MBBA with hexane and methanol as in DSC, further establishing our entropic and enthalpic screening models. UV-Vis spectra of the electronic transitions in MBBA as a function of temperature also exhibit different dependences of intensities on the solvent induced screening, and an exponential decrease is observed in presence of hexane while methanol completely changes the nature of interaction to follow a linear dependence. PMID:26874498

  19. Entropic screening preserves non-equilibrium nature of nematic phase while enthalpic screening destroys it

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2016-02-01

    The present manuscript describes the role of entropic and enthalpic forces mediated by organic non-polar (hexane) and polar (methanol) solvents on the bulk and microscopic phase transition of a well known nematic liquid crystalline material MBBA (N-(4-methoxybenzylidene)-4-butylaniline) through Differential Scanning calorimetry (DSC), UV-Visible (UV-Vis), and Fourier Transform Infrared (FTIR) spectroscopy. DSC study indicates continuous linear decreases in both nematic-isotropic (N-I) phase transition temperature and enthalpy of MBBA in presence of hexane while both these parameters show a saturation after an initial decay in methanol. These distinct transitional behaviours were explained in terms of the "depletion force" model for entropic screening in hexane and "screening-self-screening" model for methanol. Heating rate dependent DSC studies find that non-Arrhenius behaviour, characteristic of pristine MBBA and a manifestation of non-equilibrium nature [Dan et al., J. Chem. Phys. 143, 094501 (2015)], is preserved in presence of entropic screening in the hexane solution, while it changes to Arrhenius behaviour (signifying equilibrium behaviour) in presence of enthalpic screening in methanol solution. FTIR spectra show similar dependence on the solvent induced screening in the intensities of the imine (—C = N) stretch and the out-of-plane distortion vibrations of the benzene rings of MBBA with hexane and methanol as in DSC, further establishing our entropic and enthalpic screening models. UV-Vis spectra of the electronic transitions in MBBA as a function of temperature also exhibit different dependences of intensities on the solvent induced screening, and an exponential decrease is observed in presence of hexane while methanol completely changes the nature of interaction to follow a linear dependence.

  20. Equilibrium phase boundary between hcp-cobalt and fcc-cobalt

    NASA Astrophysics Data System (ADS)

    Cynn, Hyunchae; Lipp, Magnus J.; Evans, William J.; Baer, Bruce J.

    In 2000 (Yoo et al., PRL), fcc-cobalt was reported as a new high pressure phase transforming from ambient hcp-cobalt starting at around 105 GPa and 300 K. Both cobalts coexist up to 150 GPa and thereafter only fcc-cobalt was found to be the only stable phase to 200 GPa. Our recent synchrotron x-ray diffraction data on cobalt are at odds with the previous interpretation. We will present our new finding and elaborate on our understanding in terms of the equilibrium phase boundary of cobalt. We will also compare our previous work on xenon (Cynn et al., 2001, PRL) with our new results on cobalt. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Portions of this work were performed at HPCAT (Sector 16), APS, Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DENA0001974 and DOE-BES under Award No. DE-FG02-99ER45775. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

  1. A two-phase restricted equilibrium model for combustion of metalized solid propellants

    NASA Technical Reports Server (NTRS)

    Sabnis, J. S.; Dejong, F. J.; Gibeling, H. J.

    1992-01-01

    An Eulerian-Lagrangian two-phase approach was adopted to model the multi-phase reacting internal flow in a solid rocket with a metalized propellant. An Eulerian description was used to analyze the motion of the continuous phase which includes the gas as well as the small (micron-sized) particulates, while a Lagrangian description is used for the analysis of the discrete phase which consists of the larger particulates in the motor chamber. The particulates consist of Al and Al2O3 such that the particulate composition is 100 percent Al at injection from the propellant surface with Al2O3 fraction increasing due to combustion along the particle trajectory. An empirical model is used to compute the combustion rate for agglomerates while the continuous phase chemistry is treated using chemical equilibrium. The computer code was used to simulate the reacting flow in a solid rocket motor with an AP/HTPB/Al propellant. The computed results show the existence of an extended combustion zone in the chamber rather than a thin reaction region. The presence of the extended combustion zone results in the chamber flow field and chemical being far from isothermal (as would be predicted by a surface combustion assumption). The temperature in the chamber increases from about 2600 K at the propellant surface to about 3350 K in the core. Similarly the chemical composition and the density of the propellant gas also show spatially non-uniform distribution in the chamber. The analysis developed under the present effort provides a more sophisticated tool for solid rocket internal flow predictions than is presently available, and can be useful in studying apparent anomalies and improving the simple correlations currently in use. The code can be used in the analysis of combustion efficiency, thermal load in the internal insulation, plume radiation, etc.

  2. Carbon dioxide hydrate phase equilibrium and cage occupancy calculations using ab initio intermolecular potentials.

    PubMed

    Velaga, Srinath C; Anderson, Brian J

    2014-01-16

    Gas hydrate deposits are receiving increased attention as potential locations for CO2 sequestration, with CO2 replacing the methane that is recovered as an energy source. In this scenario, it is very important to correctly characterize the cage occupancies of CO2 to correctly assess the sequestration potential as well as the methane recoverability. In order to predict accurate cage occupancies, the guest–host interaction potential must be represented properly. Earlier, these potential parameters were obtained by fitting to experimental equilibrium data and these fitted parameters do not match with those obtained by second virial coefficient or gas viscosity data. Ab initio quantum mechanical calculations provide an independent means to directly obtain accurate intermolecular potentials. A potential energy surface (PES) between H2O and CO2 was computed at the MP2/aug-cc-pVTZ level and corrected for basis set superposition error (BSSE), an error caused due to the lower basis set, by using the half counterpoise method. Intermolecular potentials were obtained by fitting Exponential-6 and Lennard-Jones 6-12 models to the ab initio PES, correcting for many-body interactions. We denoted this model as the “VAS” model. Reference parameters for structure I carbon dioxide hydrate were calculated using the VAS model (site–site ab initio intermolecular potentials) as Δμ(w)(0) = 1206 ± 2 J/mol and ΔH(w)(0) = 1260 ± 12 J/mol. With these reference parameters and the VAS model, pure CO2 hydrate equilibrium pressure was predicted with an average absolute deviation of less than 3.2% from the experimental data. Predictions of the small cage occupancy ranged from 32 to 51%, and the large cage is more than 98% occupied. The intermolecular potentials were also tested by calculating the pure CO2 density and diffusion of CO2 in water using molecular dynamics simulations. PMID:24328234

  3. Fourier phase analysis on equilibrium gated radionuclide ventriculography: Range of phase spread and cut-off limits in normal individuals

    PubMed Central

    Ramaiah, Vijayaraghavan L; Harish, B; Sunil, HV; Selvakumar, Job; Ravi, Kishore AG; Nair, Gopinathan

    2011-01-01

    Aim: To define the range of phase spread on equilibrium gated radionuclide ventriculography (ERNV) in normal individuals and derive the cut-off limit for the parameters to detect cardiac dyssynchrony. Materials and Methods: ERNV was carried out in 30 individuals (age 53±23 years, 25 males and 5 females) who had no history of cardiovascular disease. They all had normal left ventricular ejection fraction (LVEF 55–70%) as determined by echocardiography, were in sinus rhythm, with normal QRS duration (≤120 msec) and normal coronary angiography. First harmonic phase analysis was performed on scintigraphic data acquired in best septal view. Left and right ventricular standard deviation (LVSD and RVSD, respectively) and interventricular mechanical delay (IVMD), the absolute difference of mean phase angles of right and left ventricle, were computed and expressed in milliseconds. Mean + 3 standard deviation (SD) was used to derive the cut-off limits. Results: Average LVEF and duration of cardiac cycle in the study group were 62.5%±5.44% and 868.9±114.5 msec, respectively. The observations of LVSD, RVSD and right and left ventricular mean phase angles were shown to be normally distributed by Shapiro–Wilk test. Cut-off limits for LVSD, RVSD and IVMD were calculated to be 80 msec, 85 msec and 75 msec, respectively. Conclusion: Fourier phase analysis on ERNV is an effective tool for the evaluation of synchronicity of cardiac contraction. The cut-off limits of parameters of dyssynchrony can be used to separate heart failure patients with cardiac dyssynchrony from those without. ERNV can be used to select patients for cardiac resynchronization therapy. PMID:23326063

  4. Sorption equilibrium of a wide spectrum of organic vapors in Leonardite humic acid: experimental setup and experimental data.

    PubMed

    Niederer, Christian; Goss, Kai-Uwe; Schwarzenbach, René P

    2006-09-01

    The environmental fate of volatile and semivolatile organic compounds is determined by their partitioning between air and soil constituents, in particular soil organic matter (SOM). While there are many studies on the partitioning of nonpolar compounds between water and SOM, data on sorption of polar compounds and data for sorption from the gas phase are rather limited. In this study, Leonardite humic acid/air partition coefficients for 188 polar and nonpolar organic compounds at temperatures between 5 and 75 degrees C and relative humidities between < 0.01% and 98% have been determined using a dynamic flow-through technique. To the best of our knowledge, this is by far the largest and most diverse and consistent data set for sorption into humic material published so far. The major results are as follows: the relative humidity affected the experimental partition coefficients by up to a factor of 3; polar compounds generally sorbed more strongly than nonpolar compounds due to H-bonding (electron donor/ acceptor interactions) with the humic acid; no glass transitions in the range of 5-75 degrees C that would be relevant with respect to the sorption behavior of hydrated Leonardite humic acid were observed; our experimental data agree well with experimental partition coefficients from various literature sources. PMID:16999112

  5. Sorption equilibrium of a wide spectrum of organic vapors in Leonardite humic acid: experimental setup and experimental data

    SciTech Connect

    Christian Niederer; Kai-Uwe Goss; Rene P. Schwarzenbach

    2006-09-01

    The environmental fate of volatile and semivolatile organic compounds is determined by their partitioning between air and soil constituents, in particular soil organic matter (SOM). While there are many studies on the partitioning of nonpolar compounds between water and SOM, data on sorption of polar compounds and data for sorption from the gas phase are rather limited. In this study, Leonardite humic acid/air partition coefficients for 188 polar and nonpolar organic compounds at temperatures between 5 and 75{sup o}C and relative humidities between {lt}0.01% and 98% have been determined using a dynamic flow-through technique. The Leonardite used is a standard humic acid produced by the natural oxidation of expose lignite originating from the Gascoyne Mine in North Dakota. To the best of our knowledge, this is by far the largest and most diverse and consistent data set for sorption into humic material published so far. The major results are as follows: the relative humidity affected the experimental partition coefficients by up to a factor of 3; polar compounds generally sorbed more strongly than nonpolar compounds due to H-bonding (electron donor/acceptor interactions) with the humic acid; no glass transitions in the range of 5-75{sup o}C that would be relevant with respect to the sorption behavior of hydrated Leonardite humic acid were observed; our experimental data agree well with experimental partition coefficients from various literature sources. 42 refs., 2 figs., 2 tabs.

  6. Theoretical Aspects of Differential Scanning Calorimetry as a Tool for the Studies of Equilibrium Thermodynamics in Pharmaceutical Solid Phase Transitions.

    PubMed

    Faroongsarng, Damrongsak

    2016-06-01

    Although differential scanning calorimetry (DSC) is a non-equilibrium technique, it has been used to gain energetic information that involves phase equilibria. DSC has been widely used to characterize the equilibrium melting parameters of small organic pharmaceutical compounds. An understanding of how DSC measures an equilibrium event could make for a better interpretation of the results. The aim of this mini-review was to provide a theoretical insight into the DSC measurement to obtain the equilibrium thermodynamics of a phase transition especially the melting process. It was demonstrated that the heat quantity obtained from the DSC thermogram (ΔH) was related to the thermodynamic enthalpy of the phase transition (ΔH (P) ) via: ΔH = ΔH (P) /(1 + K (- 1)) where K was the equilibrium constant. In melting, the solid and liquefied phases presumably coexist resulting in a null Gibbs free energy that produces an infinitely larger K. Thus, ΔH could be interpreted as ΔH (P). Issues of DSC investigations on melting behavior of crystalline solids including polymorphism, degradation impurity due to heating in situ, and eutectic melting were discussed. In addition, DSC has been a tool for determination of the impurity based on an ideal solution of the melt that is one of the official methods used to establish the reference standard. PMID:27091667

  7. The role of equilibrium volume and magnetism on the stability of iron phases at high pressures.

    PubMed

    Alnemrat, S; Hooper, J P; Vasiliev, I; Kiefer, B

    2014-01-29

    The present study provides new insights into the pressure dependence of magnetism by tracking the hybridization between crystal orbitals for pressures up to 600 GPa in the known hcp, bcc and fcc iron. The Birch-Murnaghan equation of state parameters are; bcc: V0 = 11.759 A(3)/atom, K0 = 177.72 GPa; hcp: V0 = 10.525 A(3)/atom, K0 = 295.16 GPa; and fcc: V0 = 10.682 A(3)/atom, K0 = 274.57 GPa. These parameters compare favorably with previous studies. Consistent with previous studies we find that the close-packed hcp and fcc phases are non-magnetic at pressures above 50 GPa and 60 GPa, respectively. The principal features of magnetism in iron are predicted to be invariant, at least up to ∼6% overextension of the equilibrium volume. Our results predict that magnetism for overextended fcc iron disappears via an intermediate spin state. This feature suggests that overextended lattices can be used to stabilize particular magnetic states. The analysis of the orbital hybridization shows that the magnetic bcc structure at high pressures is stabilized by splitting the majority and minority spin bands. The bcc phase is found to be magnetic at least up to 600 GPa; however, magnetism is insufficient to stabilize the bcc phase itself, at least at low temperatures. Finally, the analysis of the orbital contributions to the total energy provides evidence that non-magnetic hcp and fcc phases are likely more stable than bcc at core earth pressures. PMID:24355938

  8. m-Plane Homoepitaxy and Equilibrium Crystal Shapes of Gallium Nitride by Hydride Vapor Phase Epitaxy

    NASA Astrophysics Data System (ADS)

    Bryant, Benjamin Nathaniel

    Nonpolar and semipolar growth of GaN has been shown to offer a promising path for high performance devices. These non-basal plane orientations allow for minimization of the polarization effects seen in c-plane GaN which cause spatial separation of the electron and hole wavefunctions (Quantum Confined Stark Effect). Yet despite the advantages these planes present, there remains consistent problems in both their growth and the lack of substrates. This dissertation focuses on the growth of these nonpolar and semipolar planes, in particular the homoepitaxy of m-plane GaN. The equilibrium crystal shape of GaN and its stable facets were also investigated. It is hoped that with this work, progress is made towards low defect large area nonpolar and semipolar substrates and their improved vapor phase growth. Work was initially done on m-plane regrowth by hydride vapor phase epitaxy. Extended defect generation, in particular basal plane stacking faults (BPSF), and poor morphology control are consistent problems in m-plane growth. These issues have prevented the expansion and multiplication of m-plane GaN substrates. In this work the effects of carrier gas were investigated on m-plane regrowth. Hydrogen carrier gas was shown to create highly faceted 3D nucleation. These islands had exposed N-face facets which lead to BPSF generation. In contrast, nitrogen carrier gas lead to 2D growth and thus minimized BPSF generation. These stacking faults were then characterized by both reciprocal space mapping and cathodolumienscence where type I1 and I2 faults were observed in the regrown GaN. Further work was done in exploring the equilibrium crystal shapes of GaN under varying growth conditions. Selective area growth experiments were done on high quality bulk m-plane GaN substrates where GaN facets were exposed to show the stable polar, semipolar and nonpolar planes. From these facets the kinetic Wulff plots for GaN were constructed. This work highlights the stable growth conditions

  9. An experimental verification of a criterion for forming metastable phases in containerless solidification

    SciTech Connect

    Kuribayashi, K.; Inatomi, Y.; Kumar, M. S. Vijaya

    2015-04-21

    On the thermodynamic condition for forming a metastable phase from undercooled melt in a containerless state, we had proposed a criterion that crystals will preferentially form if they have a smaller entropy of fusion than the entropy of fusion of equilibrium crystals (Kuribayashi et al., Mater. Sci. Eng., A 449–451, 675 (2007)). This criterion is proposed for being applied to materials that exhibit a faceted interface, such as semiconductors and oxides. However, no experimental data that support this criterion have been obtained. From this point, we used an aerodynamic levitator as a tool for forming metastable phases from undercooled melt and verified the above-mentioned criterion using LnFeO{sub 3} (Ln: lanthanide and Y) as the model material. In addition, the condition for double recalescence, which corresponds to forming metastable phases and stable phases, was discussed in terms of competitive 2D isomorphic nucleation of the metastable phase and 3D polymorphic nucleation of the stable phase.

  10. An experimental verification of a criterion for forming metastable phases in containerless solidification

    NASA Astrophysics Data System (ADS)

    Kuribayashi, K.; Kato, H.; Nagayama, K.; Inatomi, Y.; Kumar, M. S. Vijaya

    2015-04-01

    On the thermodynamic condition for forming a metastable phase from undercooled melt in a containerless state, we had proposed a criterion that crystals will preferentially form if they have a smaller entropy of fusion than the entropy of fusion of equilibrium crystals (Kuribayashi et al., Mater. Sci. Eng., A 449-451, 675 (2007)). This criterion is proposed for being applied to materials that exhibit a faceted interface, such as semiconductors and oxides. However, no experimental data that support this criterion have been obtained. From this point, we used an aerodynamic levitator as a tool for forming metastable phases from undercooled melt and verified the above-mentioned criterion using LnFeO3 (Ln: lanthanide and Y) as the model material. In addition, the condition for double recalescence, which corresponds to forming metastable phases and stable phases, was discussed in terms of competitive 2D isomorphic nucleation of the metastable phase and 3D polymorphic nucleation of the stable phase.

  11. Non-local equilibrium two-phase flow model with phase change in porous media and its application to reflooding of a severely damaged reactor core

    NASA Astrophysics Data System (ADS)

    Bachrata, A.; Fichot, F.; Quintard, M.; Repetto, G.; Fleurot, J.

    2012-05-01

    A generalized non local-equilibrium, three-equation model was developed for the macroscopic description of two-phase flow heat and mass transfer in porous media subjected to phase change. Six pore-scale closure problems were proposed to determine all the effective transport coefficients for representative unit cells. An improved model is presented in this paper with the perspective of application to intense boiling phenomena. The objective of this paper is to present application of this model to the simulation of reflooding of severely damaged nuclear reactor cores. In case of accident at a nuclear power plant, water sources may not be available for a long period of time and the core heats up due to the residual power. Any attempt to inject water during core degradation can lead to quenching and further fragmentation of the core material. The fragmentation of fuel rods and melting of reactor core materials may result in the formation of a "debris bed". The typical particle size in a debris bed might reach few millimeters (characteristic length-scale: 1 to 5 mm), which corresponds to a high permeability porous medium. The proposed two-phase flow model is implemented in the ICARECATHARE code, developed by IRSN to study severe accident scenarios in pressurized water reactors. Currently, the French IRSN has set up two experimental facilities to study debris bed reflooding, PEARL and PRELUDE, with the objective to validate safety models. The PRELUDE program studies the complex two phase flow of water and steam in a porous medium (diameter 180 mm, height 200 mm), initially heated to a high temperature (400°C or 700°C). The series of PRELUDE experiments achieved in 2010 constitute a significant complement to the database of high temperature bottom reflood experimental data. They provide relevant data to understand the progression of the quench front and the intensity of heat transfer. Modeling accurately these experiments required improvements to the reflooding model

  12. Non-local equilibrium two-phase flow model with phase change in porous media and its application to reflooding of a severely damaged reactor core

    SciTech Connect

    Bachrata, A.; Fichot, F.; Quintard, M.; Repetto, G.; Fleurot, J.

    2012-05-15

    A generalized non local-equilibrium, three-equation model was developed for the macroscopic description of two-phase flow heat and mass transfer in porous media subjected to phase change. Six pore-scale closure problems were proposed to determine all the effective transport coefficients for representative unit cells. An improved model is presented in this paper with the perspective of application to intense boiling phenomena. The objective of this paper is to present application of this model to the simulation of reflooding of severely damaged nuclear reactor cores. In case of accident at a nuclear power plant, water sources may not be available for a long period of time and the core heats up due to the residual power. Any attempt to inject water during core degradation can lead to quenching and further fragmentation of the core material. The fragmentation of fuel rods and melting of reactor core materials may result in the formation of a {sup d}ebris bed{sup .} The typical particle size in a debris bed might reach few millimeters (characteristic length-scale: 1 to 5 mm), which corresponds to a high permeability porous medium. The proposed two-phase flow model is implemented in the ICARECATHARE code, developed by IRSN to study severe accident scenarios in pressurized water reactors. Currently, the French IRSN has set up two experimental facilities to study debris bed reflooding, PEARL and PRELUDE, with the objective to validate safety models. The PRELUDE program studies the complex two phase flow of water and steam in a porous medium (diameter 180 mm, height 200 mm), initially heated to a high temperature (400 deg. C or 700 deg. C). The series of PRELUDE experiments achieved in 2010 constitute a significant complement to the database of high temperature bottom reflood experimental data. They provide relevant data to understand the progression of the quench front and the intensity of heat transfer. Modeling accurately these experiments required improvements to the

  13. Experimental validation of free-energy-landscape reconstruction from non-equilibrium single-molecule force spectroscopy measurements

    NASA Astrophysics Data System (ADS)

    Gupta, Amar Nath; Vincent, Abhilash; Neupane, Krishna; Yu, Hao; Wang, Feng; Woodside, Michael T.

    2011-08-01

    Free-energy-landscape formalisms provide the fundamental conceptual framework for physical descriptions of how proteins and nucleic acids fold into specific three-dimensional structures. Although folding landscapes are difficult to measure experimentally, recent theoretical work by Hummer and Szabo has shown that landscape profiles can be reconstructed from non-equilibrium single-molecule force spectroscopy measurements using an extension of the Jarzynski equality. This method has been applied to simulations and experiments but never validated experimentally. We tested it using force-extension measurements on DNA hairpins with distinct, sequence-dependent folding landscapes. Quantitative agreement was found between the landscape profiles obtained from the non-equilibrium reconstruction and those from equilibrium probability distributions. We also tested the method on a riboswitch aptamer with three partially folded intermediate states, successfully reconstructing the landscape but finding some states difficult to resolve owing to low occupancy or overlap of the potential wells. These measurements validate the landscape-reconstruction method and provide a new test of non-equilibrium work relations.

  14. Non-equilibrium phase transitions in the two-temperature Ising model with Kawasaki dynamics. Phase diagram from position space renormalization group transformation

    NASA Astrophysics Data System (ADS)

    Renklioglu, B.; Yalabik, M. C.

    2012-12-01

    Phase transitions of the two-finite temperature Ising model on a square lattice are investigated by using a position space renormalization group (PSRG) transformation. Different finite temperatures, T x and T y , and also different time-scale constants, α x and α y for spin exchanges in the x and y directions define the dynamics of the non-equilibrium system. The critical surface of the system is determined by RG flows as a function of these exchange parameters. The Onsager critical point (when the two temperatures are equal) and the critical temperature for the limit when the other temperature is infinite, previously studied by the Monte Carlo method, are obtained. In addition, two steady-state fixed points which correspond to the non-equilibrium phase transition are presented. These fixed points yield the different universality class properties of the non-equilibrium phase transitions.

  15. Phases, periphases, and interphases equilibrium by molecular modeling. I. Mass equilibrium by the semianalytical stochastic perturbations method and application to a solution between (120) gypsum faces

    NASA Astrophysics Data System (ADS)

    Pedesseau, Laurent; Jouanna, Paul

    2004-12-01

    The SASP (semianalytical stochastic perturbations) method is an original mixed macro-nano-approach dedicated to the mass equilibrium of multispecies phases, periphases, and interphases. This general method, applied here to the reflexive relation Ck⇔μk between the concentrations Ck and the chemical potentials μk of k species within a fluid in equilibrium, leads to the distribution of the particles at the atomic scale. The macroaspects of the method, based on analytical Taylor's developments of chemical potentials, are intimately mixed with the nanoaspects of molecular mechanics computations on stochastically perturbed states. This numerical approach, directly linked to definitions, is universal by comparison with current approaches, DLVO Derjaguin-Landau-Verwey-Overbeek, grand canonical Monte Carlo, etc., without any restriction on the number of species, concentrations, or boundary conditions. The determination of the relation Ck⇔μk implies in fact two problems: a direct problem Ck⇒μk and an inverse problem μk⇒Ck. Validation of the method is demonstrated in case studies A and B which treat, respectively, a direct problem and an inverse problem within a free saturated gypsum solution. The flexibility of the method is illustrated in case study C dealing with an inverse problem within a solution interphase, confined between two (120) gypsum faces, remaining in connection with a reference solution. This last inverse problem leads to the mass equilibrium of ions and water molecules within a 3 Å thick gypsum interface. The major unexpected observation is the repulsion of SO42- ions towards the reference solution and the attraction of Ca2+ ions from the reference solution, the concentration being 50 times higher within the interphase as compared to the free solution. The SASP method is today the unique approach able to tackle the simulation of the number and distribution of ions plus water molecules in such extreme confined conditions. This result is of prime

  16. Two-phase quasi-equilibrium in β-type Ti-based bulk metallic glass composites

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Pauly, S.; Tang, M. Q.; Eckert, J.; Zhang, H. F.

    2016-01-01

    The microstructural evolution of cast Ti/Zr-based bulk metallic glass composites (BMGCs) containing β-Ti still remains ambiguous. This is why to date the strategies and alloys suitable for producing such BMGCs with precisely controllable volume fractions and crystallite sizes are still rather limited. In this work, a Ti-based BMGC containing β-Ti was developed in the Ti-Zr-Cu-Co-Be system. The glassy matrix of this BMGC possesses an exceptional glass-forming ability and as a consequence, the volume fractions as well as the composition of the β-Ti dendrites remain constant over a wide range of cooling rates. This finding can be explained in terms of a two-phase quasi-equilibrium between the supercooled liquid and β-Ti, which the system attains on cooling. The two-phase quasi-equilibrium allows predicting the crystalline and glassy volume fractions by means of the lever rule and we succeeded in reproducing these values by slight variations in the alloy composition at a fixed cooling rate. The two-phase quasi-equilibrium could be of critical importance for understanding and designing the microstructures of BMGCs containing the β-phase. Its implications on the nucleation and growth of the crystalline phase are elaborated.

  17. Two-phase quasi-equilibrium in β-type Ti-based bulk metallic glass composites

    PubMed Central

    Zhang, L.; Pauly, S.; Tang, M. Q.; Eckert, J.; Zhang, H. F.

    2016-01-01

    The microstructural evolution of cast Ti/Zr-based bulk metallic glass composites (BMGCs) containing β-Ti still remains ambiguous. This is why to date the strategies and alloys suitable for producing such BMGCs with precisely controllable volume fractions and crystallite sizes are still rather limited. In this work, a Ti-based BMGC containing β-Ti was developed in the Ti-Zr-Cu-Co-Be system. The glassy matrix of this BMGC possesses an exceptional glass-forming ability and as a consequence, the volume fractions as well as the composition of the β-Ti dendrites remain constant over a wide range of cooling rates. This finding can be explained in terms of a two-phase quasi-equilibrium between the supercooled liquid and β-Ti, which the system attains on cooling. The two-phase quasi-equilibrium allows predicting the crystalline and glassy volume fractions by means of the lever rule and we succeeded in reproducing these values by slight variations in the alloy composition at a fixed cooling rate. The two-phase quasi-equilibrium could be of critical importance for understanding and designing the microstructures of BMGCs containing the β-phase. Its implications on the nucleation and growth of the crystalline phase are elaborated. PMID:26754315

  18. Two-phase quasi-equilibrium in β-type Ti-based bulk metallic glass composites.

    PubMed

    Zhang, L; Pauly, S; Tang, M Q; Eckert, J; Zhang, H F

    2016-01-01

    The microstructural evolution of cast Ti/Zr-based bulk metallic glass composites (BMGCs) containing β-Ti still remains ambiguous. This is why to date the strategies and alloys suitable for producing such BMGCs with precisely controllable volume fractions and crystallite sizes are still rather limited. In this work, a Ti-based BMGC containing β-Ti was developed in the Ti-Zr-Cu-Co-Be system. The glassy matrix of this BMGC possesses an exceptional glass-forming ability and as a consequence, the volume fractions as well as the composition of the β-Ti dendrites remain constant over a wide range of cooling rates. This finding can be explained in terms of a two-phase quasi-equilibrium between the supercooled liquid and β-Ti, which the system attains on cooling. The two-phase quasi-equilibrium allows predicting the crystalline and glassy volume fractions by means of the lever rule and we succeeded in reproducing these values by slight variations in the alloy composition at a fixed cooling rate. The two-phase quasi-equilibrium could be of critical importance for understanding and designing the microstructures of BMGCs containing the β-phase. Its implications on the nucleation and growth of the crystalline phase are elaborated. PMID:26754315

  19. Experimental and calculated phases in two as-cast and annealed Mg-Zn-Y alloys

    SciTech Connect

    Farzadfar, S.A.; Sanjari, M.; Jung, I.-H.; Essadiqi, E.; Yue, S.

    2012-01-15

    The CALPHAD (Calculation of Phase Diagram) method was used to select ternary alloys from Mg-Zn-Y system, aimed at determining the role of precipitates in the microstructure and texture evolution of Mg during and after deformation. The selected alloys are Mg-6Zn-1.2Y and Mg-5Zn-2Y. The constituent phases in the as-cast Mg-6Zn-1.2Y alloy are {alpha}-Mg solid solution phase and I (Mg{sub 3}YZn{sub 6}) intermetallic phase. The as-cast Mg-5Zn-2Y alloy is composed of {alpha}-Mg, I and W (Mg{sub 3}Y{sub 2}Zn{sub 3}) phases. The intermetallics in the two alloys form by eutectic reaction, which in Mg-5Zn-2Y alloy results in initially W-phase formation and ultimately I-phase formation during solidification. After heat treatment, the Mg-6Zn-1.2Y and Mg-5Zn-2Y alloys contain nearly the same amount of ternary intermetallics (I and W phases, respectively) in equilibrium with {alpha}-Mg solid solution phase. The main solute in {alpha}-Mg phase is Zn with the same amount in the two alloys. The type and quantity of the phases obtained experimentally disagree with the results obtained from the thermodynamic database. One important discrepancy is that, in Mg-6Zn-1.2Y alloy, the I phase is not stable at the temperature of 430 Degree-Sign C, and that the W phase is the stable phase at this temperature. The differences in the experimental and calculated data indicate that the Mg-Zn-Y system requires to be reassessed with more experimental data. - Highlights: Black-Right-Pointing-Pointer Mg-6Zn-1.2Y and Mg-5Zn-2Y alloys were selected by FactSage Trade-Mark-Sign Thermodynamic software. Black-Right-Pointing-Pointer The I and W intermetallics in the two alloys form by eutectic reaction. Black-Right-Pointing-Pointer The alloys contain similar amounts of different intermetallics in equilibrium with {alpha}-Mg. Black-Right-Pointing-Pointer In Mg-6Zn-1.2Y, the I phase is not stable at the temperature of 430 Degree-Sign C. Black-Right-Pointing-Pointer The hardness of W phase is determined to be

  20. KEMOD: A mixed chemical kinetic and equilibrium model of aqueous and solid phase geochemical reactions

    SciTech Connect

    Yeh, G.T.; Iskra, G.A.; Szecsody, J.E.; Zachara, J.M.; Streile, G.P.

    1995-01-01

    This report presents the development of a mixed chemical Kinetic and Equilibrium MODel in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength.

  1. Integrated tokamak modelling taskforce: Validation of the equilibrium reconstruction from experimental data

    SciTech Connect

    Zwingmann, W.; Airaj, M.; Eriksson, L.-G.; Guillerminet, B.; Huysmans, G. T. A.; Imbeaux, F.; Moreau, Ph.; McCarthy, P.; Strand, P.

    2008-03-19

    The Integrated tokamak modelling taskforce was set up to provide the European scientific community with simulation tools for preparing and analysing discharges of fusion experiments. We will report on recent progress made on the taskforce project on equilibrium and linear stability. A generic data structure has been devised to describe the geometry of a machine and physical processes in the discharge. This data structure is used to interface all individual analysis program within the taskforce. One of the analysis tools, the equilibrium code EFIT-ITM, based on the EFIT code written by L. L. Lao, has been completely rewritten in order to make it suitable for the ITM. It has algorithm enhancements to increase execution speed, and the ability to treat anisotropic pressure and deviation from axisymmetry. The reconstruction code is now completely independent of the machine description. First results on veriflcation and validation of the new tool are presented.

  2. Equilibrium phase diagrams of aqueous mixtures of malonic acid and sulfate/ammonium salts.

    PubMed

    Salcedo, Dara

    2006-11-01

    Tropospheric aerosols are usually complex mixtures of inorganic and organic components. Although the thermodynamic properties of inorganic aerosols have been widely studied, the effect of organics on such properties is still under discussion. In this study, solubility in water, water activity (a(w)) of aqueous solutions, deliquescence relative humidity (DRH), eutonic composition, and eutonic DRH were determined for bulk mixtures of malonic acid (MA) with ammonium sulfate (AS) and ammonium bisulfate (ABS) at 25 degrees C over the full range of composition (from 0 wt % to the solubility limit of the mixture components). The data were used to construct equilibrium phase diagrams, which show the phase of the mixtures as a function of total composition, dry mixture composition, water content, and ambient relative humidity (RH). This work complements previous reports on the thermodynamic properties of AS/MA mixtures because the range of concentrations investigated is larger than in any other published single study. On the other hand, this is the first report on the a(w), deliquescence, and water absorption of ABS/MA mixtures. The eutonic composition for AS/MA mixtures was found to be 66.8 MA dry wt % (MA dry wt % = MA mass x 100/(AS mass + MA mass) with a DRH of 0.437. The eutonic composition for the ABS/MA mixtures was lower than for the AS/MA mixtures: 20.9 MA dry wt % with a DRH of 0.327. Measured a(w) of liquid AS/MA and ABS/MA solutions is compared with an extended Zdanovskii-Stokes-Robinson expression, obtaining a good agreement (error < 5-6%). The expression was used to predict water uptake of mixtures and might be useful to interpret particle hygroscopic growth experiments. Comparison of the AS/MA and ABS/MA systems indicates that ABS reduces the DRH and enhances water uptake, relative to mixtures with AS. The results confirm that ambient particles containing sulfate and water-soluble organic compounds can remain liquid or partially liquid at very low ambient RH

  3. Compact Phase-Conjugating Correlator: Simulation and Experimental Analysis

    NASA Astrophysics Data System (ADS)

    Sharp, James H.; Budgett, David M.; Slack, Tim G.; Scott, Brian F.

    1998-07-01

    A simulation and experimental investigation of a recently proposed, compact, phase-conjugating correlator is undertaken. The effects of noise and other distortions in the input image and in the correlator filter plane are considered. As with other phase-only designs, the phase-conjugating correlator is sensitive to distortion of the input image while being robust in the presence of filter-plane distortions; this robustness is enhanced by the phase-conjugating property of the design.

  4. Experimental phasing using zinc anomalous scattering

    SciTech Connect

    Cha, Sun-Shin; An, Young Jun; Jeong, Chang-Sook; Kim, Min-Kyu; Lee, Sung-Gyu; Lee, Kwang-Hoon; Oh, Byung-Ha

    2012-09-01

    The surface of proteins can be charged with zinc ions and the anomalous signals from these zinc ions can be used for structure determination of proteins. Zinc is a suitable metal for anomalous dispersion phasing methods in protein crystallography. Structure determination using zinc anomalous scattering has been almost exclusively limited to proteins with intrinsically bound zinc(s). Here, it is reported that multiple zinc ions can easily be charged onto the surface of proteins with no intrinsic zinc-binding site by using zinc-containing solutions. Zn derivatization of protein surfaces appears to be a largely unnoticed but promising method of protein structure determination.

  5. Reflection of no equilibrium two Phase Processes of Filtration in heterogeneous Media in the active seism acoustic borehole monitoring Data

    NASA Astrophysics Data System (ADS)

    Hachay, Olga; Dryagin, Veniamin; Igolkina, Galina; Khachay, Oleg

    2013-04-01

    It is provided a comparison of no equilibrium effects by independent hydro dynamical and seism acoustic influence on an oil layer. It is known, that by drainage and steeps the hysteresis effect on curves of the relative phase permeability in dependence from porous medium water saturation by some cycles of influence: drainage-steep-drainage is observed. In earlier papers the analysis of the seism acoustic monitoring data in regimes of phone radiation, response on the first influence of given frequency and on the second influence is developed. For the analysis of seism acoustic response in time on fixed intervals along the borehole an algorithm of phase diagrams of the state of many phase medium is suggested In that paper on the base of developed algorithm a new algorithm of analyze of space, but integral in time for equal observation periods changing by the method of phase diagram state of many phase medium in the oil layer is developed. The paper was supported by the Program of Presidium UB RAS 2012-2014. Key words: Oil and gas deposits, seism acoustic borehole monitoring data, new method of processing, reflection of no equilibrium two phase processes, heterogeneous media.

  6. Information performances and illative sequences: Sequential organization of explanations of chemical phase equilibrium

    NASA Astrophysics Data System (ADS)

    Brown, Nathaniel James Swanton

    While there is consensus that conceptual change is surprisingly difficult, many competing theories of conceptual change co-exist in the literature. This dissertation argues that this discord is partly the result of an inadequate account of the unwritten rules of human social interaction that underlie the field's preferred methodology---semi-structured interviewing. To better understand the contributions of interaction during explanations, I analyze eight undergraduate general chemistry students as they attempt to explain to various people, for various reasons, why phenomena involving chemical phase equilibrium occur. Using the methods of interaction analysis, I characterize the unwritten, but systematic, rules that these participants follow as they explain. The result is a description of the contributions of interaction to explaining. Each step in each explanation is a jointly performed expression of a subject-predicate relation, an interactive accomplishment I call an information performance (in-form, for short). Unlike clauses, in-forms need not have a coherent grammatical structure. Unlike speaker turns, in-forms have the clear function of expressing information. Unlike both clauses and speaker turns, in-forms are a co-construction, jointly performed by both the primary speaker and the other interlocutor. The other interlocutor strongly affects the form and content of each explanation by giving or withholding feedback at the end of each in-form, moments I call feedback-relevant places. While in-forms are the bricks out of which the explanation is constructed, they are secured by a series of inferential links I call an illative sequence. Illative sequences are forward-searching, starting with a remembered fact or observation and following a chain of inferences in the hope it leads to the target phenomenon. The participants treat an explanation as a success if the illative sequence generates an in-form that describes the phenomenon. If the illative sequence does

  7. Experimental clean combustor program, phase 2

    NASA Technical Reports Server (NTRS)

    Roberts, R.; Peduzzi, A.; Vitti, G. E.

    1976-01-01

    The alternate fuels investigation objective was to experimentally determine the impacts, if any, on exhaust emissions, performance, and durability characteristics of the hybrid and vorbix low pollution combustor concepts when operated on test fuels which simulate composition and property changes which might result from future broadened aviation turbine fuel specifications or use of synthetically derived crude feedstocks. Results of the program indicate a significant increase in CO and small NOX increase in emissions at idle for both combustor concepts, and an increase in THC for the vorbix concept. Minimal impact was observed on gaseous emissions at high power. The vorbix concept exhibited significant increase in exhaust smoke with increasing fuel aromatic content. Altitude stability was not affected for the vorbix combustor, but was substantially reduced for the hybrid concept. Severe carbon deposition was observed in both combustors following limited endurance testing with No. 2 home heat fuel. Liner temperature levels were insensitive to variations in aromatic content over the range of conditions investigated.

  8. Numerical analysis of unsteady cavitating flow by using a modification based on an assumption of apparent phase equilibrium

    NASA Astrophysics Data System (ADS)

    Iga, Y.

    2014-03-01

    The prediction accuracy of cavitation by CFD is still not so high even in a simplest flow field around a single hydrofoil especially in transient condition at higher angle of attack, which is common problem in both commercial software and in-house solvers. In the transient condition, unsteady cavitation occurs, in which sheet cavity breaks off and cloud cavity sheds downstream periodically. At that time, the sheet cavity length tends to be underestimated in usual CFD. In the present study, modification for the phase change model is suggested, which is based on an idea of apparent phase equilibrium on gas-liquid interface with unsteady and disturbed flow. At first, a preliminary experiment has been done for evaporation on two gas- liquid interfaces with and without flow, the result contributes the evidence of the idea of apparent phase equilibrium with flow. In the result, the pressure around gas-liquid interface with flow was higher than that without flow on the occasion of evaporation, it means flow accelerates evaporation. I treat the gap of the pressure as a gap of phase equilibrium pressure macroscopically. Then, numerical simulation of cavitating flow around a hydrofoil is performed with a modification of phase change model in the transient condition at higher angle of attack which is most difficult to predict by the present solvers. In the modification, the gap of the pressure with and without flow is taken into account according to a value of a local variation of velocity in the cavitating flow filed. The formulation is similar to the PDF model for phase change model in cavitation by Singhal. The numerical results by the present modification are compared among few pressure variation components which are assumed to accelerate the evaporation in transient cavitation.

  9. Experimental determination of equilibrium magnesium isotope fractionation between spinel, forsterite, and magnesite by the three-isotope method at 700 °C and 1 GPa

    NASA Astrophysics Data System (ADS)

    Macris, C. A.; Young, E. D.; Manning, C. E.; Schauble, E. A.

    2011-12-01

    Magnesium isotopes are potentially powerful tools for high-temperature geochemistry if relevant fractionation factors are known. However, experimental data for Mg isotope fractionation are lacking at high temperatures. We performed piston-cylinder experiments at 700 °C and 1 GPa to establish the equilibrium magnesium isotope partitioning between forsterite (Mg2SiO4) and magnesite (MgCO3), and between spinel (MgAl2O4) and magnesite, making use of the well-established advantages of using carbonates as an isotope exchange medium (e.g. Clayton et al., 1989). Our results provide the first experimental calibration of the equilibrium 26Mg/24Mg fractionation between minerals at high temperature. For these experiments we used a high-pressure piston cylinder apparatus and a three-isotope spike technique. The present study extends the applicability of the three-isotope method to experiments involving simple isotope exchange rather than exchange by heterogeneous reaction (Shahar et al., 2008). In these experiments we used magnesite as the exchange medium (and exchange partner) to overcome the sluggish diffusion-limited exchange between spinel and forsterite alone. The carbonate media facilitates chemical and isotopic exchange by promoting annealing and re-crystallization of minerals during the experiment. The combination of a three-isotope method with the use of carbonate as exchange media, used for the first time in this study, allows the experimentalist to determine the partitioning of Mg isotopes between two solid phases without requiring heterogeneous reaction. Results show that at 700 °C and 1 GPa 26ΔFo-Mgs = -0.16 ± 0.13% and 26ΔSp-Mgs = 0.93 ± 0.28%. From these two experimentally-determined equilibrium fractionation values, we can derive the equilibrium fractionation between spinel and forsterite by difference, yielding 26ΔSp-Fo = 1.09 ± 0.31%. This agrees within error with a first- principles estimate of equilibrium magnesium isotope fractionation of 26

  10. Phase-equilibrium modelling of blueschists from the Vestgötabreen Complex (SW Svalbard)

    NASA Astrophysics Data System (ADS)

    Kośmińska, Karolina; Majka, Jarosław; Manecki, Maciej; Lorenz, Henning; Kozub, Gabriela

    2014-05-01

    In Svalbard Archipelago, blueschists are known from Motalafjella area (Oscar II Land). They belong to the Vestgötabreen Complex, which is divided into a Lower (LU) and Upper Unit (UU). The former is composed of high pressure-low temperature (HP-LT) metasediments. The latter consists mainly of blueschists and eclogites. Various radiometric dating yielded an age of c. 470 Ma for the HP-LT metamorphism in the Motalafjella area. The pressure-temperature (P-T) conditions for carpholite-bearing schists from LU have been estimated to c. 16 kbar and 330-450°C (Agard et al., 2005), whereas eclogites from UU indicate peak conditions of 18-24 kbar and 580-640°C (Hirajima et al., 1988). During the fieldwork in 2011, blueschists were also discovered at the western coast of Nordenskiöld Land. They form isolated bodies enclosed within metasedimentary units, but their tectonic position is still under debate. Preliminary P-T estimates indicate peak pressure conditions of c. 17 kbar and 480°C (Kośmińska et al., in revision). The age of metamorphism is unknown, however P-T conditions as well as metamorphic assemblage suggest that the blueschists from Nordenskiöld Land may be an equivalent of these in the Vestgötabreen Complex. Samples of blueschists from UU have been collected on Skipperryggen. They consist mainly of glaucophane, garnet, white micas (phengite and paragonite), rutile, lawsonite and chlorite. The garnet typically forms euhedral to subhedral porphyroblasts which contain voluminous inclusions. Its composition varies from Alm63Prp13Grs22Sps2 in the cores to Alm60Prp19Grs20Sps1 in the rims. The change in chemical zoning is rather gradual. The garnet shows bowl-shaped pyrope profiles and opposite almandine trends. The P-T conditions were estimated using phase equilibrium modeling. Preliminary modeling in the NCKFMMnASHTO system yields peak pressure conditions at c. 20 kbar and 520°C. The estimated P-T conditions for the blueschists from Skipperryggen are in

  11. Improving experimental phases for strong reflections prior to density modification

    SciTech Connect

    Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.; Read, Randy J.

    2013-09-20

    Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program,SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.

  12. Improving experimental phases for strong reflections prior to density modification

    DOE PAGESBeta

    Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.; Read, Randy J.

    2013-09-20

    Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number ofmore » strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. Lastly, a computer program,SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.« less

  13. Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers.

    PubMed

    Speck, Thomas; Chandler, David

    2012-05-14

    Recent progress has demonstrated that trajectory space for both kinetically constrained lattice models and atomistic models can be partitioned into a liquid-like and an inactive basin with a non-equilibrium phase transition separating these behaviors. Recent work has also established that excitations in atomistic models have statistics and dynamics like those in a specific class of kinetically constrained models. But it has not been known whether the non-equilibrium phase transitions occurring in the two classes of models have similar origins. Here, we show that the origin is indeed similar. In particular, we show that the number of excitations identified in an atomistic model serves as the order parameter for the inactive-active phase transition for that model. In this way, we show that the mechanism by which excitations are correlated in an atomistic model - by dynamical facilitation - is the mechanism from which the active-inactive phase transition emerges. We study properties of the inactive phase and show that it is amorphous lacking long-range order. We also discuss the choice of dynamical order parameters. PMID:22583302

  14. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system.

    PubMed

    Newman, Hugh D; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  15. Experimental observation of the hot-electron equilibrium in a minimum-B mirror plasma

    SciTech Connect

    Smatlak, D.L.; Chen, X.; Lane, B.G.; Hokin, S.A.; Post, R.S.

    1987-05-04

    Measurements of the hot-electron (T = 450 keV, n = 2 x 10/sup 11/ cm/sup -3/) equilibrium in the Constance B minimum-B magnetic mirror show that the pressure profile is peaked off the axis and is shaped like the seam on a baseball. This curve is the drift surface of the deeply trapped electrons and the location of the strongest microwave heating. The configuration is stable and decays quiescently on the hot-electron collisional time scale (1--2 s) after the microwave power is turned off. According to 1D pressure-weighted ..integral.. dl/B analysis this plasma configuration is expected to be unstable.

  16. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system

    PubMed Central

    Newman, Hugh D.; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  17. Effect of aircraft noise on the equilibrium of airport residents: Longitudinal study around Roissy, phase 3

    NASA Technical Reports Server (NTRS)

    Francois, J.

    1981-01-01

    The effects of airplane noise on the mental equilibrium of residents living near airports are discussed, and based on population sample surveys involving health questionnaires and self-administered personality tests. Progressive changes were observed on the part of residents living near a large airport.

  18. Experimental investigation of a steady-state dynamical phase transition in a Jaynes-Cummings dimer

    NASA Astrophysics Data System (ADS)

    Raftery, James; Sadri, Darius; Mandt, Stephan; Tureci, Hakan; Houck, Andrew

    Experimental progress in circuit-QED has made it possible to study non-equilibrium many-body physics using strongly correlated photons. Such open and driven systems can display new types of dynamical phase transitions. A steady state transition has also been predicted for a Jaynes-Cummings dimer where the photon current between the two cavities acts as an order parameter. Here, we discuss the theory and report measurements of the steady-state behavior of a circuit-QED dimer with in situ tunable inter-cavity coupling and on-site photon-photon interaction. Recently deceased.

  19. Phase Equilibrium Study of ZnO-"FeO"-SiO2 System at Fixed Po2 10-8 atm

    NASA Astrophysics Data System (ADS)

    Liu, Hongquan; Cui, Zhixiang; Chen, Mao; Zhao, Baojun

    2016-02-01

    Experimental studies of phase equilibria and liquidus temperatures have been carried out in the systems "FeO"-SiO2 and ZnO-"FeO"-SiO2 at Po2 10-8 atm. Research techniques have been developed to enable the ZnO-containing system to be investigated under reducing conditions controlled by CO-CO2 gas mixture. The experimental approach includes master slag preparation, high-temperature equilibration, quench, and electron probe X-ray microanalysis (EPMA). Phase compositions in the quenched samples were measured by EPMA and used for construction of phase diagram. It was found that the isotherms of the system ZnO-"FeO"-SiO2 at Po2 10-8 atm are significantly different from those in equilibrium with metallic iron and those predicted by FactSage. The presence of ZnO in copper smelting slag significantly increases the liquidus temperature in spinel primary phase field. Partitioning of ZnO in liquid and spinel is also discussed in this paper.

  20. Statistical Thermodynamics of an "Open" Hard Sphere System on the Equilibrium Fluid Isotherm: Study of Properties of the Freezing Transition Without Direct Involvement of the Equilibrium Solid Phase

    NASA Astrophysics Data System (ADS)

    Reiss, Howard; Manzanares, José A.

    2016-09-01

    Using several theoretical toolsldots (i) the nucleation theorem, (ii) an equivalent cavity, (iii) the reversible work of adding a cavity to an open hard sphere system, and (iv) the theory of "stability"... the authors estimated the density at which the hard sphere freezing transition occurs. No direct involvement of the equilibrium solid phase is involved. The reduced density \\uppi a^3ρ _f/6 (where a is the hard sphere diameter and ρ _f is the actual density at which freezing occurs) is found to be 0.4937 while the value obtained by computer simulation is 0.494. The agreement is good, but the new method still contains some approximation. However, the approximation is based on the idea that at a density just below ρ _f the fluid adopts a distorted structure resembling the solid, but different enough so that long-range order vanishes. Initial loss of stability may not be involved in every fluid-solid transition, but it may be an early step in the hard sphere and related systems.

  1. Experimental verification of phase retrieval of microbeads in high-speed phase imaging using digital holography

    NASA Astrophysics Data System (ADS)

    Matoba, Osamu; Xia, Peng; Quan, Xiangyu; Nagahama, Naoya; Tanimoto, Shunsuke; Nitta, Kouichi; Awatsuji, Yasuhiro

    2016-06-01

    One of fast measurement systems of μm-size phase objects based on digital holographic microscope with transmission geometry is presented. For building a 3D inspection system of the phase objects, the improvement of recovered phase image is discussed. Under the CW laser illumination, the movement afterimage of phase object was observed. The phase object is recovered by deconvolution filter. Experimental and numerical evaluation are presented.

  2. Experimental investigation and application of the equilibrium rutile + orthopyroxene = quartz + ilmenite

    USGS Publications Warehouse

    Hayob, J.L.; Bohlen, S.R.; Essene, E.J.

    1993-01-01

    Equilibria in the Sirf (Silica-Ilmenite-Rutile-Ferrosilite) system: {Mathematical expression} have been calibrated in the range 800-1100?? C and 12-26 kbar using a piston-cylinder apparatus to assess the potential of the equilibria for geobarometry in granulite facies assemblages that lack garnet. Thermodynamic calculations indicate that the two end-member equilibria involving quartz + geikielite = rutile + enstatite, and quartz + ilmenite = rutile + ferrosilite, are metastable. We therefore reversed equilibria over the compositional range Fs40-70, using Ag80Pd20 capsules with {Mathematical expression} buffered at or near iron-wu??stite. Ilmenite compositions coexisting with orthopyroxene are {Mathematical expression} of 0.06 to 0.15 and {Mathematical expression} of 0.00 to 0.01, corresponding to KD values of 13.3, 10.2, 9.0 and 8.0 (??0.5) at 800, 900, 1000 and 1100?? C, respectively, where KD=(XMg/XFe)Opx/(XMg/XFe)Ilm. Pressures have been calculated using equilibria in the Sirf system for granulites from the Grenville Province of Ontario and for granulite facies xenoliths from central Mexico. Pressures are consistent with other well-calibrated geobarometers for orthopyroxeneilmenite pairs from two Mexican samples in which oxide textures appear to represent equilibrium. Geologically unreasonable pressures are obtained, however, where oxide textures are complex. Application of data from this study on the equilibrium distribution of iron and magnesium between ilmenite and orthopyroxene suggests that some ilmenite in deep crustal xenoliths is not equilibrated with coexisting pyroxene, while assemblages from exposed granulite terranes have reequilibrated during retrogression. The Sirf equilibria are sensitive to small changes in composition and may be used for determination of activity/composition (a/X) relations of orthopyroxene if an ilmenite model is specified. A symmetric regular solution model has been used for orthopyroxene in conjunction with activity models

  3. Numerical and experimental exploration of phase control of chaos.

    PubMed

    Zambrano, Samuel; Allaria, Enrico; Brugioni, Stefano; Leyva, Immaculada; Meucci, Riccardo; Sanjuán, Miguel A F; Arecchi, Fortunato T

    2006-03-01

    A well-known method to suppress chaos in a periodically forced chaotic system is to add a harmonic perturbation. The phase control of chaos scheme uses the phase difference between a small added harmonic perturbation and the main driving to suppress chaos, leading the system to different periodic orbits. Using the Duffing oscillator as a paradigm, we present here an in-depth study of this technique. A thorough numerical exploration has been made focused in the important role played by the phase, from which new interesting patterns in parameter space have appeared. On the other hand, our novel experimental implementation of phase control in an electronic circuit confirms both the well-known features of this method and the new ones detected numerically. All this may help in future implementations of phase control of chaos, which is globally confirmed here to be robust and easy to implement experimentally. PMID:16599742

  4. THE EFFECT OF METASTABLE EQUILIBRIUM STATES ON THE PARTITIONING OF NITRATE BETWEEN THE GAS AND AEROSOL PHASES. (R826371C005)

    EPA Science Inventory

    With the aid of three atmospheric aerosol equilibrium models, we quantify the effect of metastable equilibrium states (efflorescence branch) in comparison to stable (deliquescence branch) on the partitioning of total nitrate between the gas and aerosol phases. On average, effl...

  5. Experimental phase-advance in woven textile metasurface

    NASA Astrophysics Data System (ADS)

    Burgnies, L.; Cochrane, C.; Rault, F.; Sadaune, V.; Lheurette, É.; Koncar, V.; Lippens, D.

    2015-11-01

    Transmission with phase advance is experimentally evidenced in a woven metasurface made of metallic wires and dielectric yarns. Similar to the negative refraction in metamaterials, phase advance is analyzed with a retrieval procedure of effective medium parameters. It is shown that a quasi-unitary transmission level can be achieved below the magnetic plasma frequency with a phase advance in a propagation regime for which both effective permittivity and permeability exhibit negative values. By stacking two metasurfaces with metallic wires woven in orthogonal directions, the phase advance is maintained and a polarization insensitive woven metamaterial is achieved.

  6. Improving experimental phases for strong reflections prior to density modification

    SciTech Connect

    Uervirojnangkoorn, Monarin; Hilgenfeld, Rolf; Terwilliger, Thomas C.; Read, Randy J.

    2013-10-01

    A genetic algorithm has been developed to optimize the phases of the strongest reflections in SIR/SAD data. This is shown to facilitate density modification and model building in several test cases. Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005 ▶), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. A computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.

  7. Experimental Investigation of the Cd-Pr Phase Diagram

    PubMed Central

    Reichmann, Thomas L.; Effenberger, Herta S.; Ipser, Herbert

    2014-01-01

    The complete Cd-Pr equilibrium phase diagram was investigated with a combination of powder-XRD, SEM and DTA. All intermetallic compounds within this system, already reported in literature, could be confirmed: CdPr, Cd2Pr, Cd3Pr, Cd45Pr11, Cd58Pr13, Cd6Pr and Cd11Pr. The corresponding phase boundaries were determined at distinct temperatures. The homogeneity range of the high-temperature allotropic modification of Pr could be determined precisely and a limited solubility of 22.1 at.% Cd was derived. Additionally, single-crystal X-ray diffraction was employed to investigate structural details of Cd2Pr; it is isotypic to the AlB2-type structure with a z value of the Cd site of 0.5. DTA results of alloys located in the adjacent two-phase fields of Cd2Pr suggested a phase transformation between 893 and 930°C. For the phase Cd3Pr it was found that the lattice parameter a changes linearly with increasing Cd content, following Vegard’s rule. The corresponding defect mechanism could be evaluated from structural data collected with single-crystal XRD. Introduction of a significant amount of vacancies on the Pr site and the reduction in symmetry of one Cd position (8c to 32f) resulted in a noticeable decrease of all R-values. PMID:24718502

  8. Experimental investigation of the Cd-Pr phase diagram.

    PubMed

    Reichmann, Thomas L; Effenberger, Herta S; Ipser, Herbert

    2014-01-01

    The complete Cd-Pr equilibrium phase diagram was investigated with a combination of powder-XRD, SEM and DTA. All intermetallic compounds within this system, already reported in literature, could be confirmed: CdPr, Cd2Pr, Cd3Pr, Cd45Pr11, Cd58Pr13, Cd6Pr and Cd11Pr. The corresponding phase boundaries were determined at distinct temperatures. The homogeneity range of the high-temperature allotropic modification of Pr could be determined precisely and a limited solubility of 22.1 at.% Cd was derived. Additionally, single-crystal X-ray diffraction was employed to investigate structural details of Cd2Pr; it is isotypic to the AlB2-type structure with a z value of the Cd site of 0.5. DTA results of alloys located in the adjacent two-phase fields of Cd2Pr suggested a phase transformation between 893 and 930°C. For the phase Cd3Pr it was found that the lattice parameter a changes linearly with increasing Cd content, following Vegard's rule. The corresponding defect mechanism could be evaluated from structural data collected with single-crystal XRD. Introduction of a significant amount of vacancies on the Pr site and the reduction in symmetry of one Cd position (8c to 32f) resulted in a noticeable decrease of all R-values. PMID:24718502

  9. An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

    NASA Technical Reports Server (NTRS)

    Pratt, B. S.; Pratt, D. T.

    1984-01-01

    A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

  10. Experimental implementation of phase locking in a nonlinear interferometer

    SciTech Connect

    Wang, Hailong; Jing, Jietai; Marino, A. M.

    2015-09-21

    Based upon two cascade four-wave mixing processes in two identical hot rubidium vapor cells, a nonlinear interferometer has been experimentally realized [Jing et al., Appl. Phys. Lett. 99, 011110 (2011); Hudelist et al., Nat. Commun. 5, 3049 (2014)]. It has a higher degree of phase sensitivity than a traditional linear interferometer and has many potential applications in quantum metrology. Phase locking of the nonlinear interferometer is needed before it can find its way into applications. In this letter, we investigate the experimental implementation of phase locking of the relative phase between the three beams at different frequencies involved in such a nonlinear interferometer. We have utilized two different methods, namely, beat note locking and coherent modulation locking. We find that coherent modulation locking can achieve much better phase stability than beat note locking in our system. Our results pave the way for real applications of a nonlinear interferometer in precision measurement and quantum manipulation, for example, phase control in phase-sensitive N-wave mixing process, N-port nonlinear interferometer and quantum-enhanced real-time phase tracking.

  11. Experimental Investigation of the Instability of the Mechanical Equilibrium of a Four-Component Mixture with Ballast Gases

    NASA Astrophysics Data System (ADS)

    Moldabekova, M. S.; Asembaeva, M. K.; Akzholova, A. A.

    2016-03-01

    The instability of the mechanical equilibrium of the diffusion mixing of a four-component mixture with ballast gases by the two-flask method was investigated experimentally. The main gases helium and methane were diluted with nitrous oxide and propane, respectively. An analysis of the evolution of the diffusion mixing of these gases with time has shown that, in the case where the diffusion proceeding in a system with a ballast gas is unstable, in it there arises circulation of the gas-diluent by the diffusion channel from one flask to the other of a diffusion apparatus. It was established that the circulation of the ballast gas by the diffusion channel makes it possible to sustain the unsteady multicomponent diffusion during a long time and, in so doing, to decelerate the change of this regime to the regime of stable mass transfer.

  12. A two phase Mach number description of the equilibrium flow of nitrogen in ducts

    NASA Technical Reports Server (NTRS)

    Bursik, J. W.; Hall, R. M.; Adcock, J. B.

    1979-01-01

    Some additional thermodynamic properties of the usual two-phase form which is linear in the moisture fraction are derived which are useful in the analysis of many kinds of duct flow. The method used is based on knowledge of the vapor pressure and Gibbs function as functions of temperature. With these, additional two-phase functions linear in moisture fraction are generated, which ultimately reveal that the squared ratio of mixture specific volume to mixture sound speed depends on liquid mass fraction and temperature in the same manner as do many weighted mean two-phase properties. This leads to a simple method of calculating two-phase Mach numbers for various duct flows. The matching of one- and two-phase flows at a saturated vapor point with discontinuous Mach number is also discussed.

  13. Experimental verification of electro-refractive phase modulation in graphene

    NASA Astrophysics Data System (ADS)

    Mohsin, Muhammad; Neumaier, Daniel; Schall, Daniel; Otto, Martin; Matheisen, Christopher; Lena Giesecke, Anna; Sagade, Abhay A.; Kurz, Heinrich

    2015-06-01

    Graphene has been considered as a promising material for opto-electronic devices, because of its tunable and wideband optical properties. In this work, we demonstrate electro-refractive phase modulation in graphene at wavelengths from 1530 to 1570 nm. By integrating a gated graphene layer in a silicon-waveguide based Mach-Zehnder interferometer, the key parameters of a phase modulator like change in effective refractive index, insertion loss and absorption change are extracted. These experimentally obtained values are well reproduced by simulations and design guidelines are provided to make graphene devices competitive to contemporary silicon based phase modulators for on-chip applications.

  14. Experimental verification of electro-refractive phase modulation in graphene

    PubMed Central

    Mohsin, Muhammad; Neumaier, Daniel; Schall, Daniel; Otto, Martin; Matheisen, Christopher; Lena Giesecke, Anna; Sagade, Abhay A.; Kurz, Heinrich

    2015-01-01

    Graphene has been considered as a promising material for opto-electronic devices, because of its tunable and wideband optical properties. In this work, we demonstrate electro-refractive phase modulation in graphene at wavelengths from 1530 to 1570 nm. By integrating a gated graphene layer in a silicon-waveguide based Mach-Zehnder interferometer, the key parameters of a phase modulator like change in effective refractive index, insertion loss and absorption change are extracted. These experimentally obtained values are well reproduced by simulations and design guidelines are provided to make graphene devices competitive to contemporary silicon based phase modulators for on-chip applications. PMID:26061415

  15. Analytical and experimental study of high phase order induction motors

    NASA Astrophysics Data System (ADS)

    Klingshirn, Eugene A.

    1989-08-01

    Induction motors having more than three phases were investigated to determine their suitability for electric vehicle applications. The objective was to have a motor with a current rating lower than that of a three-phase motor. The name chosen for these is high phase order (HPO) motors. Motors having six phases and nine phases were given the most attention. It was found that HPO motors are quite suitable for electric vehicles, and for many other applications as well. They have characteristics which are as good as or better than three-phase motors for practically all applications where polyphase induction motors are appropriate. Some of the analysis methods are presented, and several of the equivalent circuits which facilitate the determination of harmonic currents and losses, or currents with unbalanced sources, are included. The sometimes large stator currents due to harmonics in the source voltages are pointed out. Filters which can limit these currents were developed. An analysis and description of these filters is included. Experimental results which confirm and illustrate much of the theory are also included. These include locked rotor test results and full-load performance with an open phase. Also shown are oscillograms which display the reduction in harmonic currents when a filter is used with the experimental motor supplied by a non-sinusoidal source.

  16. Analytical and experimental study of high phase order induction motors

    NASA Technical Reports Server (NTRS)

    Klingshirn, Eugene A.

    1989-01-01

    Induction motors having more than three phases were investigated to determine their suitability for electric vehicle applications. The objective was to have a motor with a current rating lower than that of a three-phase motor. The name chosen for these is high phase order (HPO) motors. Motors having six phases and nine phases were given the most attention. It was found that HPO motors are quite suitable for electric vehicles, and for many other applications as well. They have characteristics which are as good as or better than three-phase motors for practically all applications where polyphase induction motors are appropriate. Some of the analysis methods are presented, and several of the equivalent circuits which facilitate the determination of harmonic currents and losses, or currents with unbalanced sources, are included. The sometimes large stator currents due to harmonics in the source voltages are pointed out. Filters which can limit these currents were developed. An analysis and description of these filters is included. Experimental results which confirm and illustrate much of the theory are also included. These include locked rotor test results and full-load performance with an open phase. Also shown are oscillograms which display the reduction in harmonic currents when a filter is used with the experimental motor supplied by a non-sinusoidal source.

  17. Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

    NASA Technical Reports Server (NTRS)

    Gokoglu, Suleyman A.

    1988-01-01

    This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

  18. Phase Equilibrium Studies of Savannah River Tanks and Feed Streams for the Salt Waste Processing Facility

    SciTech Connect

    Weber, C.F.

    2001-06-19

    A chemical equilibrium model is developed and used to evaluate supersaturation of tanks and proposed feed streams to the Salt Waste Processing Facility. The model uses Pitzer's model for activity coefficients and is validated by comparison with a variety of thermodynamic data. The model assesses the supersaturation of 13 tanks at the Savannah River Site (SRS), indicating that small amounts of gibbsite and or aluminosilicate may form. The model is also used to evaluate proposed feed streams to the Salt Waste Processing Facility for 13 years of operation. Results indicate that dilutions using 3-4 M NaOH (about 0.3-0.4 L caustic per kg feed solution) should avoid precipitation and reduce the Na{sup +} ion concentration to 5.6 M.

  19. Signature of a continuous quantum phase transition in non-equilibrium energy absorption: Footprints of criticality on higher excited states

    PubMed Central

    Bhattacharyya, Sirshendu; Dasgupta, Subinay; Das, Arnab

    2015-01-01

    Understanding phase transitions in quantum matters constitutes a significant part of present day condensed matter physics. Quantum phase transitions concern ground state properties of many-body systems, and hence their signatures are expected to be pronounced in low-energy states. Here we report signature of a quantum critical point manifested in strongly out-of-equilibrium states with finite energy density with respect to the ground state and extensive (subsystem) entanglement entropy, generated by an external pulse. These non-equilibrium states are evidently completely disordered (e.g., paramagnetic in case of a magnetic ordering transition). The pulse is applied by switching a coupling of the Hamiltonian from an initial value (λI) to a final value (λF) for sufficiently long time and back again. The signature appears as non-analyticities (kinks) in the energy absorbed by the system from the pulse as a function of λF at critical-points (i.e., at values of λF corresponding to static critical-points of the system). As one excites higher and higher eigenstates of the final Hamiltonian H(λF) by increasing the pulse height , the non-analyticity grows stronger monotonically with it. This implies adding contributions from higher eigenstates help magnifying the non-analyticity, indicating strong imprint of the critical-point on them. Our findings are grounded on exact analytical results derived for Ising and XY chains in transverse field. PMID:26568306

  20. Liquid-vapor phase equilibrium in a tin-selenium system

    NASA Astrophysics Data System (ADS)

    Volodin, V. N.; Burabaeva, N. M.; Trebukhov, S. A.

    2014-12-01

    Based on the pressure of the saturated vapor and components over liquid alloys in a tin-selenium system, determined using the boiling points approach (isothermal variant), its boiling point and corresponding vapor phase composition are calculated in the region of liquid solutions. The phase diagram is supple-mented with the liquid-vapor phase transition under atmospheric pressure and in vacuums of 100 and 10 Pa with the boundaries of the region in which the regions of liquid and vapor coexist being determined.

  1. Vacuum-assisted headspace solid phase microextraction: improved extraction of semivolatiles by non-equilibrium headspace sampling under reduced pressure conditions.

    PubMed

    Psillakis, Elefteria; Yiantzi, Evangelia; Sanchez-Prado, Lucia; Kalogerakis, Nicolas

    2012-09-12

    A new headspace solid-phase microextraction (HSSPME) procedure carried out under vacuum conditions is proposed here where sample volumes commonly used in HSSPME (9 mL) were introduced into pre-evacuated commercially available large sampling chambers (1000 mL) prior to HSSPME sampling. The proposed procedure ensured reproducible conditions for HSSPME and excluded the possibility of analyte losses. A theoretical model was formulated demonstrating for the first time the pressure dependence of HSSPME sampling procedure under non equilibrium conditions. Although reduced pressure conditions during HSSPME sampling are not expected to increase the amount of analytes extracted at equilibrium, they greatly increase extraction rates compared to HSSPME under atmospheric pressure due to the enhancement of evaporation rates in the presence of an air-evacuated headspace. The effect is larger for semivolatiles whose evaporation rates are controlled by mass transfer resistance in the thin gas film adjacent to the sample/headspace interface. Parameters that affect HSSPME extraction were investigated under both vacuum and atmospheric conditions and the experimental data obtained were used to discuss and verify the theory. The use of an excessively large headspace volume was also considered. The applicability of Vac-HSSPME was assessed using chlorophenols as model compounds yielding linearities better than 0.9915 and detection limits in the low-ppt level. The repeatability was found to vary from 3.1 to 8.6%. PMID:22884204

  2. Equilibrium aluminium hydroxo-oxalate phases during initial clay formation; H +-Al 3+-oxalic acid-Na + system

    NASA Astrophysics Data System (ADS)

    Bilinski, Halka; Horvath, Laszlo; Ingri, Nils; Sjöberg, Staffan

    1986-09-01

    The conditions necessary for initial clay formation have been studied in different model systems comprising different organic acids besides Si and Al. In the present paper the solid phases and the precipitation boundary characterizing the subsystem H +-Al 3+-oxalic acid (H 2L) are discussed. pH and tyndallometric measurements were performed in an ionic medium of 0.6 M Na(Cl) at 25 °C. The two phases Al 3(OH) 7(C 2O 4) · 3H 2O (phase I) and NaAl(OH) 2(C 2O 4) · 3H 2O (phase II) determine the precipitation boundary. The following formation constants for the two phases were deduced: lgβ1 = lg([ Al3+] -3[ H2C2O4] -1[ H+] 9 = -21.87 ± 0.08 and lgβ11 = lg([ Al3+] -1[ H2C2O4] -1[ H+] 4 = -5.61 ± 0.06. Phase I exists in the range [ Al] tot≥ 10 -4.4moldm-3,[ H2C2O4] tot ≥ 10 -4.9moldm-3 and at pH < 6.8, thus being a possible precipitate in oxalic-rich natural waters. The more soluble sodium phase is unlikely to exist in natural waters. The two phases are metastable relative to crystalline gibbsite and may be considered as the first precipitation step in the transition from aqueous Al oxalates down to stable Al hydroxide. Model calculations illustrating these competing hydrolysis-complexation reactions are discussed in terms of predominance and speciation diagrams. The solid phases have been characterized by X-ray analysis of powders, TGA and IR spectra, and tentative structures are proposed. Phase I seems to be an octahedral layer structure, in which 3/5 of the octahedral sites between two close packed oxygen sheets are occupied by Al 3+ and the oxalate ion acts as a bridge ligand between two aluminium atoms. Phase II forms a more open sheet structure and has ion exchange properties. Powder data for a phase crystallized from the studied solution after a year are also presented. This phase, Na 4Al 2(OH) 2(C 2O 4) 4 · 10H 2O, supports the results from the equilibrium analysis of recent solution data by SJöBERG and ÖHMAN (1985), who have found the dinuclear

  3. Advanced Crystallographic Data Collection Protocols for Experimental Phasing.

    PubMed

    Finke, Aaron D; Panepucci, Ezequiel; Vonrhein, Clemens; Wang, Meitian; Bricogne, Gérard; Oliéric, Vincent

    2016-01-01

    Experimental phasing by single- or multi-wavelength anomalous dispersion (SAD or MAD) has become the most popular method of de novo macromolecular structure determination. Continuous advances at third-generation synchrotron sources have enabled the deployment of rapid data collection protocols that are capable of recording SAD or MAD data sets. However, procedural simplifications driven by the pursuit of high throughput have led to a loss of sophistication in data collection strategies, adversely affecting measurement accuracy from the viewpoint of anomalous phasing. In this chapter, we detail optimized strategies for collecting high-quality data for experimental phasing, with particular emphasis on minimizing errors from radiation damage as well as from the instrument. This chapter also emphasizes data processing for "on-the-fly" decision-making during data collection, a critical process when data quality depends directly on information gathered while at the synchrotron. PMID:26227043

  4. Experimental determination of equilibrium magnesium isotope fractionation between spinel, forsterite, and magnesite from 600 °C to 800 °C

    NASA Astrophysics Data System (ADS)

    Macris, C. A.; Young, E. D.; Manning, C. E.

    2012-12-01

    Magnesium isotopes are potentially powerful tools for high-temperature geochemistry if relevant fractionation factors are known. However, experimental data for Mg isotope fractionation are lacking at high temperatures. We performed piston-cylinder experiments at 600, 700, and 800 °C at 1 GPa to establish the equilibrium magnesium isotope partitioning between forsterite (Mg2SiO4) and magnesite (MgCO3) and between spinel (MgAl2O4) and magnesite, making use of the well-established advantages of using carbonates as an isotope exchange medium (e.g. Clayton et al., 1989). In these experiments we implemented the three-isotope method with forsterite and magnesite, and with spinel and magnesite, at three different temperatures in high-pressure piston cylinder apparatus for varying lengths of time. The present study extends the applicability of the three-isotope method to experiments involving simple isotope exchange rather than exchange by heterogeneous reaction (Shahar et al., 2008). We used magnesite as the exchange medium (and exchange partner) to overcome the sluggish diffusion-limited exchange between spinel and forsterite alone. The carbonate medium evidently facilitates chemical and isotopic exchange by promoting annealing and re-crystallization of minerals during the experiment. Results are as follows: 600 °C and 1 GPa 26ΔSp-Mgs = 1.73 ± 0.38‰ and 26ΔFo-Mgs = 0.44 ± 0.10‰; 700 °C 26ΔSp-Mgs = 1.10 ± 0.27‰ and 26ΔFo-Mgs = -0.13 ± 0.13‰; 800 °C 26ΔSp-Mgs = 0.90 ± 0.28‰ and 26ΔFo-Mgs = 0.04 ± 0.04‰. From these experimentally determined equilibrium fractionation values, we derive the temperature-dependent equilibrium fractionation between spinel and forsterite by difference, yielding 26ΔSp-Fo = 1.29 ± 0.39‰, 26ΔSp-Fo = 1.22 ± 0.30‰, and 26ΔSp-Fo = 0.86 ± 0.29‰ for 600, 700, and 800 °C respectively. These results agree within error with first- principles estimates of equilibrium magnesium isotope fractionation between spinel and

  5. Phase-equilibrium geobarometers for silicic rocks based on rhyolite-MELTS

    NASA Astrophysics Data System (ADS)

    Gualda, G. A.; Ghiorso, M. S.; Begue, F.; Pamukcu, A. S.; Gravley, D. M.

    2013-12-01

    Constraining the pressure of crystallization of magmas is an important but elusive task. We propose here a method to derive crystallization pressures for rocks that preserve glass compositions (either glass inclusions or matrix glass) representative of equilibration between melt, quartz, and 1 or 2 feldspars. The method relies on the shift of the quartz-feldspar saturation surface towards higher silica with decreasing pressure. The critical realization is that melt, quartz and feldspars need to be in equilibrium at the liquidus for the melt composition of interest. Thus, this method consists of calculating the saturation surfaces for quartz and feldspars using rhyolite-MELTS over a range of pressures, and searching for the pressure at which the expected assemblage (quartz+1 feldspar or quartz+2 feldspars) is found at the liquidus. We evaluate errors resulting from uncertainties in glass composition using Monte Carlo simulations, which reveal errors of ~20-45 MPa for the quartz+2 feldspars constraint and of ~25-100 MPa for the quartz+1 feldspar constraint; actual errors are likely closer to the lower bounds of these ranges. We demonstrate that the effect of fluid-saturation is more important at higher pressures (~300 MPa) than at lower pressures (~100 MPa), but reasonable pressure estimates can be derived irrespective of fluid saturation for geologically relevant H2O concentrations (>3 wt. %). And, we show that pressures calculated using the rhyolite-MELTS geobarometer compare well with those resulting from H2O-CO2 glass inclusion barometry and Al-in-hornblende barometry for an array of natural systems for which data has been compiled from the literature. We apply the rhyolite-MELTS barometer to three systems we are currently studying in detail: (1) For the Bishop Tuff (CA, USA), we find that quartz-hosted glass inclusion compositions yield indistinguishable crystallization pressures for early-erupted and late-erupted pumice, consistent with the Bishop Tuff having

  6. Phase equilibrium for surfactant Ls-54 in liquid CO2 with water and solubility estimation using the Peng-Robinson equation of state

    PubMed Central

    Tarafa, Pedro J.; Matthews, Michael A.

    2010-01-01

    It is known that the commercial surfactant Dehypon® Ls-54 is soluble in supercritical CO2 and that it enables formation of water-in-CO2 microemulsions. In this work we observed phase equilibrium for the Ls-54/CO2 and Ls-54/water/CO2 systems in the liquid CO2 region, from 278.15 - 298.15 K. In addition, the Peng-Robinson equation of state (PREOS) was used to model the phase behavior of Ls-54/CO2 binary system as well as to estimate water solubilities in CO2. Ls-54 in CO2 can have solubilities as high as 0.086 M at 278.15 K and 15.2 MPa. The stability of the microemulsion decreases with increasing concentration of water, and lower temperatures favor increased solubility of water into the one-phase microemulsion. The PREOS model showed satisfactory agreement with the experimental data for both Ls-54/CO2 and water/CO2 systems. PMID:21037962

  7. A general unified non-equilibrium model for predicting saturated and subcooled critical two-phase flow rates through short and long tubes

    SciTech Connect

    Fraser, D.W.H.; Abdelmessih, A.H.

    1995-09-01

    A general unified model is developed to predict one-component critical two-phase pipe flow. Modelling of the two-phase flow is accomplished by describing the evolution of the flow between the location of flashing inception and the exit (critical) plane. The model approximates the nonequilibrium phase change process via thermodynamic equilibrium paths. Included are the relative effects of varying the location of flashing inception, pipe geometry, fluid properties and length to diameter ratio. The model predicts that a range of critical mass fluxes exist and is bound by a maximum and minimum value for a given thermodynamic state. This range is more pronounced at lower subcooled stagnation states and can be attributed to the variation in the location of flashing inception. The model is based on the results of an experimental study of the critical two-phase flow of saturated and subcooled water through long tubes. In that study, the location of flashing inception was accurately controlled and adjusted through the use of a new device. The data obtained revealed that for fixed stagnation conditions, the maximum critical mass flux occurred with flashing inception located near the pipe exit; while minimum critical mass fluxes occurred with the flashing front located further upstream. Available data since 1970 for both short and long tubes over a wide range of conditions are compared with the model predictions. This includes test section L/D ratios from 25 to 300 and covers a temperature and pressure range of 110 to 280{degrees}C and 0.16 to 6.9 MPa. respectively. The predicted maximum and minimum critical mass fluxes show an excellent agreement with the range observed in the experimental data.

  8. A meniscus where three phases coexist at equilibrium: Microscopic derivation of the Herring relations

    SciTech Connect

    De Coninck, J.; de Gottal, P.; Menu, F. )

    1989-07-01

    The geometrical characteristics of a meniscus between 2 phases are studied. In particular, the behavior of the contact angles as a function of the temperature is derived for SOS-type models. A microscopic derivation of the Herring relations is given within a continuous Gaussian model.

  9. Phase equilibrium in the formation of silicon carbide by topochemical conversion of silicon

    NASA Astrophysics Data System (ADS)

    Kukushkin, S. A.; Osipov, A. V.

    2016-04-01

    Methods of linear algebra were used to find a basis of independent chemical reactions in the topochemical conversion of silicon into silicon carbide by the reaction with carbon monoxide. The pressure-flow phase diagram was calculated from this basis, describing the composition of the solid phase for a particular design of vacuum furnace. It was demonstrated that to grow pure silicon carbide, it is necessary to ensure the pressure of carbon monoxide less than a certain value and its flow more than a certain value, depending on the temperature of the process. The elastic fields around vacancies formed were considered for the first time in calculating the topochemical reaction. It was shown that the anisotropy of these fields in a cubic crystal increases the constant of the main reaction approximately fourfold.

  10. Decoding the pair correlations and properties of equilibrium microscopic cluster phases

    NASA Astrophysics Data System (ADS)

    Bollinger, Jonathan; Jadrich, Ryan; Truskett, Thomas

    Due to competing interactions acting between particles, dispersed colloidal suspensions can reversibly transition to phases comprising aggregate clusters. Cluster phases have been reported for both 'model' colloidal particles and complex monomers (e.g., proteins); however, many questions remain regarding how to detect and characterize cluster phases given only pair structural correlations (the information most accessible across diverse systems) and how to relate clustering susceptibility and behavior to underlying monomer-monomer interactions. Using molecular simulations and liquid-state theory across a wide survey of conditions, we decode the widely-observed intermediate range order pre-peak in the structure factor by: (1) validating a physically-intuitive rule for detecting clustering based on the pre-peak thermal correlation length; and (2) relating pre-peak position to cluster size and bulk monomer density. We further demonstrate how clustering transitions and resultant properties relate to monomer interactions along coordinates tunable in experiments. These trends are suitable for comparing against clustering systems that can be directly visualized (via, e.g., confocal microscopy), which should aid in assessing the realism of commonly-adopted monomer interaction potentials.

  11. Non-equilibrium Simulation of CO­2-hydrate Phase Transitions from Mixtures of CO2 and N2 Gases

    NASA Astrophysics Data System (ADS)

    Qorbani Nashaqi, K.

    2015-12-01

    Storage of CO2 in aquifers is one of several options for reducing the emissions of CO2 to the atmosphere. Generally this option requires sealing integrity through layers of clay or shale. Many reservoirs have regions of temperature and pressure inside hydrate formation conditions. Whether hydrate formation can provide long term extra sealing still remains unverified in view of all co-existing phases that affect hydrate stability. Yet another storage option for CO2 is in the form of hydrate through exchange of in situ CH4 hydrate. Injection of CO2 into hydrate filled sediments is challenging due to the partial filling of pores with hydrate which results in low porosity and low permeability. Formation of new hydrate from injected CO2 will enhance these problems, Mixing N2 gas with the CO2 will increase permeability and will reduce driving forces for formation of new hydrate from pore water and injection gas. Hydrate can generally not reach thermodynamic equilibrium due to Gibbs' phase rule and the combined first and second laws of thermodynamics. These thermodynamic constraints on distribution of masses over co-existing phases are dynamically coupled to local mass- and heat-transport. Reservoir simulations are one possible method for investigation of possible scenarios related to injection of CO2 with N2 into aquifers containing CH4 hydrate. In this work we have developed prevoiusly modified RetrasoCodeBrite (RCB) simulator to handle injection of CO2/N2 gas mixtures. Hydrate formation and dissociation were determined by investigating Gibbs free energy differences between hydrate and hydrate formers. Gibbs free energy differences were calculated from changes in chemical potentials, which were obtained using non-equilibrium thermodynamic approach. Further extension of RCB has been implemented in this work through adding on-the-fly thermodynamic calculations. Correspondingly, hydrate phase transitions are calculated directly inside the code as a result of super

  12. Impact of Associated Gases on Equilibrium and Transport Properties of a Stream: Molecular Simulation and Experimental Studies

    NASA Astrophysics Data System (ADS)

    Creton, Benoit; de Bruin, Theodorus; Le Roux, Dominique; Duchet-Suchaux, Pierre; Lachet, Véronique

    2014-02-01

    During the various carbon dioxide capture and storage (CCS) stages, an accurate knowledge of thermodynamic properties of streams is required for the correct sizing of plant units. The injected streams are not pure and often contain small amounts of associated gaseous components such as , , noble gases, etc. In this work, the thermodynamic behavior and transport properties of some -rich mixtures have been investigated using both experimental approaches and molecular simulation techniques such as Monte Carlo and molecular dynamics simulations. Using force fields available in the literature, we have validated the capability of molecular simulation techniques in predicting properties for pure compounds, binary mixtures, as well as multicomponent mixtures. These validations were performed on the basis of experimental data taken from the literature and the acquisition of new experimental data. As experimental data and simulation results were in good agreement, we proposed the use of simulation techniques to generate new pseudo-experimental data and to study the impact of associated gases on the properties of streams. For instance, for a mixture containing 92.0 mol% of , 4.0 mol% of , 3.7 mol% of Ar, and 0.3 mol% of , we have shown that the presence of associated gases leads to a decrease of 14 % and 21 % of the dense phase density and viscosity, respectively, as compared to pure properties.

  13. Characterization of sodium carboxymethylcellulose-gelatin complex coacervation by chemical analysis of the coacervate and equilibrium fluid phases.

    PubMed

    Koh, G L; Tucker, I G

    1988-05-01

    The complex coacervation of sodium carboxymethylcellulose (SCMC) and gelatin has been characterized by chemical analyses of the coacervate and equilibrium fluid phases. The phenol-sulphuric acid (for SCMC) and Lowry (for gelatin) assays were used. Chemically analysed coacervate yield was used to predict optimum coacervation conditions, which occurred at a SCMC-gelatin mixing ratio of 3:7 at pH 3.5. The effects of pH, colloid mixing ratio and total colloid concentration on coacervate yield and composition were studied. The colloid mixing ratio, at which the peak coacervate yields occurred varied with coacervation pH. Increase in the total colloid concentration suppressed coacervation, resulting in a coacervate of higher water content. A similar coacervation mechanism was seen for two viscosity grades SCMC. However, because of the different degree of substitution of these two grades the SCMC-gelatin coacervates had different SCMC contents. PMID:2899623

  14. A history of experimental phasing in macromolecular crystallography

    PubMed Central

    Isaacs, Neil

    2016-01-01

    It was just over a century ago that W. L. Bragg published a paper describing the first crystal structures to be determined using X-ray diffraction data. These structures were obtained from considerations of X-ray diffraction (Bragg equation), crystallography (crystal lattices and symmetry) and the scattering power of different atoms. Although W. H. Bragg proposed soon afterwards, in 1915, that the periodic electron density in crystals could be analysed using Fourier transforms, it took some decades before experimental phasing methods were developed. Many scientists contributed to this development and this paper presents the author’s own perspective on this history. There will be other perspectives, so what follows is a history, rather than the history, of experimental phasing. PMID:26960116

  15. Cosmological QCD phase transition in steady non-equilibrium dissipative Hořava-Lifshitz early universe

    NASA Astrophysics Data System (ADS)

    Khodadi, M.; Sepangi, H. R.

    2014-07-01

    We study the phase transition from quark-gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 1-10 μs old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Hořava-Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann-Robertson-Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Hořava-Lifshitz gravity, λ, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density ξ/s. We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel-Stewart fluid, respectively.

  16. Experimental Studies of the Vibrational Entropies of Alloy Phases

    SciTech Connect

    Prof. Brent Fultz

    2001-02-18

    This is the annual progress report for the Grant DE-FG03-96ER45572. This research is on the entropy of materials, particularly alloy phases. It is an experimental effort utilizing inelastic neutron scattering facilities at two DOE facilities: Oak Ridge National Laboratory (HFIR) and Argonne National Laboratory (IPNS), and the NIST Center for Neutron Research. It includes an overview of completed research in 2000, a list of publications, and personnel supported under this grant.

  17. Experimental First Order Pairing Phase Transition in Atomic Nuclei

    NASA Astrophysics Data System (ADS)

    Moretto, L. G.; Larsen, A. C.; Giacoppo, F.; Guttormsen, M.; Siem, S.

    2015-02-01

    The natural log of experimental nuclear level densities at low energy is linear with energy. This can be interpreted in terms of a nearly 1st order phase transition from a superfluid to an ideal gas of quasi particles. The transition temperature coincides with the BCS critical temperature and yields gap parameters in good agreement with the values extracted from even- odd mass differences from rotational states. This converging evidence supports the relevance of the BCS theory to atomic nuclei.

  18. Investigation of the phase equilibrium of alloys of the ternary system Ti-Al-Nb

    SciTech Connect

    Nartova, T.T.; Sopochkin, G.G.

    1987-09-09

    This investigation of the constitution diagram of the ternary system titanium-aluminum-niobium is limited to the specific system Ti-Ti3A1-Nb in order to establish the regions of the alpha and beta solid solutions of titanium, the solid solutions based on aluminide Ti3A1, and the phases conjugated with them. The constitution diagram of the systems Ti-A1 and Ti-Nb obtained from the data were used as the basis for constructing the constitution diagram of the ternary system. The methods of microstructural, thermal and X ray phase analysis were used in the study. The X ray pictures were taken in copper emission from powders that had been preliminarily annealed in a vacuum at 600 for 30 min. Iodic titanium, aluminum brand AV-000 and fillet niobium were used as the source materials. The alloys were remelted five times in an electric-arc furnace with a nonconsumable tungsten electrode in an argon atmosphere, and then by crucibleless melting in the suspended state. The constancy of the chemical composition of the alloys was monitored by their weight after smelting in an electric arc furnace.

  19. Experimental assessment of phased-array heating of neck tumours.

    PubMed

    Gross, E J; Cetas, T C; Stauffer, P R; Liu, R L; Lumori, M L

    1990-01-01

    An investigation of phased-array microwave systems (PAMS) for non-invasively inducing hyperthermia, primarily in neck lesions, has been done with implications for applications at other sites such as lung and pelvis. Our general approach was to combine numerical and analytical approaches with parallel experimental studies. In this paper we will concentrate only on the experimental aspects. The object, such as a homogeneous cylindrical phantom or a neck phantom, was encircled with several standard applicators driven by a single source, but with relative phase and amplitude control over each applicator. The relative phases of the applicators were adjusted by using an implanted monopole antenna connected to an HP network analyser. Power was applied and the specific absorption rate (SAR) was determined by using split phantoms and thermography or by measuring temperature transients dT/dt, recorded by implanted thermometer probes. We found that at 915 MHz for our applicators (SMA Co.) the centre of an 11 cm diameter muscle-like phantom heated to about 33% of the value at the surface in front of the applicator. Similarly, we were able to show significant SAR at the centre of realistically sized neck phantoms using four phased apertures of 915 MHz. Furthermore, substantial improvement was observed if the frequency was lowered to about 400 MHz. PMID:2324581

  20. Equilibrium properties and phase diagram of two-dimensional Yukawa systems

    NASA Astrophysics Data System (ADS)

    Hartmann, P.; Kalman, G. J.; Donkó, Z.; Kutasi, K.

    2005-08-01

    Properties of two-dimensional strongly coupled Yukawa systems are explored through molecular dynamics simulations. An effective coupling coefficient Γ* for the liquid phase is introduced on the basis of the constancy of the first peak amplitude of the pair-correlation functions. Thermodynamic quantities are calculated from the pair-correlation function. The solid-liquid transition of the system is investigated through the analysis of the bond-angular order parameter. The static structure function satisfies consistency relation, attesting to the reliability of the computational method. The response is shown to be governed by the correlational part of the inverse compressibility. An analysis of the velocity autocorrelation demonstrates that this latter also exhibits a universal behavior.

  1. Equilibrium properties and phase diagram of two-dimensional Yukawa systems

    SciTech Connect

    Hartmann, P.; Donko, Z.; Kutasi, K.; Kalman, G.J.

    2005-08-01

    Properties of two-dimensional strongly coupled Yukawa systems are explored through molecular dynamics simulations. An effective coupling coefficient {gamma}{sup *} for the liquid phase is introduced on the basis of the constancy of the first peak amplitude of the pair-correlation functions. Thermodynamic quantities are calculated from the pair-correlation function. The solid-liquid transition of the system is investigated through the analysis of the bond-angular order parameter. The static structure function satisfies consistency relation, attesting to the reliability of the computational method. The response is shown to be governed by the correlational part of the inverse compressibility. An analysis of the velocity autocorrelation demonstrates that this latter also exhibits a universal behavior.

  2. Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model.

    PubMed

    Butlitsky, M A; Zelener, B B; Zelener, B V

    2014-07-14

    A two-component plasma model, which we called a "shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The "shelf Coulomb" model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ɛ parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ɛ and γ = βe(2)n(1/3) (where β = 1/kBT, n is the particle's density, kB is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ɛ and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ɛ(crit) ≈ 13(T(*)(crit) ≈ 0.076), γ(crit) ≈ 1.8(v(*)(crit) ≈ 0.17), P(*)(crit) ≈ 0.39, where specific volume v* = 1/γ(3) and reduced temperature T(*) = ɛ(-1). PMID:25028031

  3. Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model

    SciTech Connect

    Butlitsky, M. A.; Zelener, B. V.

    2014-07-14

    A two-component plasma model, which we called a “shelf Coulomb” model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The “shelf Coulomb” model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ε parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ε and γ = βe{sup 2}n{sup 1/3} (where β = 1/k{sub B}T, n is the particle's density, k{sub B} is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ε and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ε{sub crit}≈13(T{sub crit}{sup *}≈0.076),γ{sub crit}≈1.8(v{sub crit}{sup *}≈0.17),P{sub crit}{sup *}≈0.39, where specific volume v* = 1/γ{sup 3} and reduced temperature T{sup *} = ε{sup −1}.

  4. Cosmological QCD phase transition in steady non-equilibrium dissipative Hořava–Lifshitz early universe

    SciTech Connect

    Khodadi, M. Sepangi, H.R.

    2014-07-15

    We study the phase transition from quark–gluon plasma to hadrons in the early universe in the context of non-equilibrium thermodynamics. According to the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electro-weak transition has occurred when the universe was about 1–10 μs old. We focus attention on such a phase transition in the presence of a viscous relativistic cosmological background fluid in the framework of non-detailed balance Hořava–Lifshitz cosmology within an effective model of QCD. We consider a flat Friedmann–Robertson–Walker universe filled with a non-causal and a causal bulk viscous cosmological fluid respectively and investigate the effects of the running coupling constants of Hořava–Lifshitz gravity, λ, on the evolution of the physical quantities relevant to a description of the early universe, namely, the temperature T, scale factor a, deceleration parameter q and dimensionless ratio of the bulk viscosity coefficient to entropy density (ξ)/s . We assume that the bulk viscosity cosmological background fluid obeys the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively. -- Highlights: •In this paper we have studied quark–hadron phase transition in the early universe in the context of the Hořava–Lifshitz model. •We use a flat FRW universe with the bulk viscosity cosmological background fluid obeying the evolution equation of the steady truncated (Eckart) and full version of the Israel–Stewart fluid, respectively.

  5. Femtosecond structural transformation of phase-change materials far from equilibrium monitored by coherent phonons

    PubMed Central

    Hase, Muneaki; Fons, Paul; Mitrofanov, Kirill; Kolobov, Alexander V.; Tominaga, Junji

    2015-01-01

    Multicomponent chalcogenides, such as quasi-binary GeTe–Sb2Te3 alloys, are widely used in optical data storage media in the form of rewritable optical discs. Ge2Sb2Te5 (GST) in particular has proven to be one of the best-performing materials, whose reliability allows more than 106 write–erase cycles. Despite these industrial applications, the fundamental kinetics of rapid phase change in GST remain controversial, and active debate continues over the ultimate speed limit. Here we explore ultrafast structural transformation in a photoexcited GST superlattice, where GeTe and Sb2Te3 are spatially separated, using coherent phonon spectroscopy with pump–pump–probe sequences. By analysing the coherent phonon spectra in different time regions, complex structural dynamics upon excitation are observed in the GST superlattice (but not in GST alloys), which can be described as the mixing of Ge sites from two different coordination environments. Our results suggest the possible applicability of GST superlattices for ultrafast switching devices. PMID:26403198

  6. Femtosecond structural transformation of phase-change materials far from equilibrium monitored by coherent phonons.

    PubMed

    Hase, Muneaki; Fons, Paul; Mitrofanov, Kirill; Kolobov, Alexander V; Tominaga, Junji

    2015-01-01

    Multicomponent chalcogenides, such as quasi-binary GeTe-Sb2Te3 alloys, are widely used in optical data storage media in the form of rewritable optical discs. Ge2Sb2Te5 (GST) in particular has proven to be one of the best-performing materials, whose reliability allows more than 10(6) write-erase cycles. Despite these industrial applications, the fundamental kinetics of rapid phase change in GST remain controversial, and active debate continues over the ultimate speed limit. Here we explore ultrafast structural transformation in a photoexcited GST superlattice, where GeTe and Sb2Te3 are spatially separated, using coherent phonon spectroscopy with pump-pump-probe sequences. By analysing the coherent phonon spectra in different time regions, complex structural dynamics upon excitation are observed in the GST superlattice (but not in GST alloys), which can be described as the mixing of Ge sites from two different coordination environments. Our results suggest the possible applicability of GST superlattices for ultrafast switching devices. PMID:26403198

  7. Femtosecond structural transformation of phase-change materials far from equilibrium monitored by coherent phonons

    NASA Astrophysics Data System (ADS)

    Hase, Muneaki; Fons, Paul; Mitrofanov, Kirill; Kolobov, Alexander V.; Tominaga, Junji

    2015-09-01

    Multicomponent chalcogenides, such as quasi-binary GeTe-Sb2Te3 alloys, are widely used in optical data storage media in the form of rewritable optical discs. Ge2Sb2Te5 (GST) in particular has proven to be one of the best-performing materials, whose reliability allows more than 106 write-erase cycles. Despite these industrial applications, the fundamental kinetics of rapid phase change in GST remain controversial, and active debate continues over the ultimate speed limit. Here we explore ultrafast structural transformation in a photoexcited GST superlattice, where GeTe and Sb2Te3 are spatially separated, using coherent phonon spectroscopy with pump-pump-probe sequences. By analysing the coherent phonon spectra in different time regions, complex structural dynamics upon excitation are observed in the GST superlattice (but not in GST alloys), which can be described as the mixing of Ge sites from two different coordination environments. Our results suggest the possible applicability of GST superlattices for ultrafast switching devices.

  8. Non-equilibrium phase transition in a two-species driven-diffusive model of classical particles

    NASA Astrophysics Data System (ADS)

    Ghadermazi, Mohammad; Jafarpour, Farhad H.

    2016-06-01

    A two-species driven-diffusive model of classical particles is introduced on a lattice with periodic boundary condition. The model consists of a finite number of first class particles in the presence of a second class particle. While the first class particles can only hop forward, the second class particle is able to hop both forward and backward with specific rates. We have shown that the partition function of this model can be calculated exactly. The model undergoes a non-equilibrium phase transition when a condensation of the first class particles occurs behind the second class particle. The phase transition point and the spatial correlations between the first class particles are calculated exactly. On the other hand, we have shown that this model can be mapped onto a two-dimensional walk model. The random walker can only move on the first quarter of a two-dimensional plane and that it takes the paths which can start at any height and end at any height upper than the height of the starting point. The initial vertex (starting point) and the final vertex (end point) of each lattice path are weighted. The weight of the outset point depends on the height of that point while the weight of the end point depends on the height of both the outset point and the end point of each path. The partition function of this walk model is calculated using a transfer matrix method.

  9. Non-equilibrium phase transition in a two-species driven-diffusive model of classical particles

    NASA Astrophysics Data System (ADS)

    Ghadermazi, Mohammad; Jafarpour, Farhad H.

    2016-09-01

    A two-species driven-diffusive model of classical particles is introduced on a lattice with periodic boundary condition. The model consists of a finite number of first class particles in the presence of a second class particle. While the first class particles can only hop forward, the second class particle is able to hop both forward and backward with specific rates. We have shown that the partition function of this model can be calculated exactly. The model undergoes a non-equilibrium phase transition when a condensation of the first class particles occurs behind the second class particle. The phase transition point and the spatial correlations between the first class particles are calculated exactly. On the other hand, we have shown that this model can be mapped onto a two-dimensional walk model. The random walker can only move on the first quarter of a two-dimensional plane and that it takes the paths which can start at any height and end at any height upper than the height of the starting point. The initial vertex (starting point) and the final vertex (end point) of each lattice path are weighted. The weight of the outset point depends on the height of that point while the weight of the end point depends on the height of both the outset point and the end point of each path. The partition function of this walk model is calculated using a transfer matrix method.

  10. An experimental investigation of two-phase liquid oxygen pumping

    NASA Technical Reports Server (NTRS)

    Gross, L. A.

    1973-01-01

    The results of an experimental program to explore the feasibility of pumping two-phase oxygen (liquid and gas) at the pump inlet are reported. Twenty-one cavitation tests were run on a standard J-2 oxygen pump at the MSFC Components Test Laboratory. All tests were run with liquid oxygen 5 to 10 K above the normal boiling point temperature. During ten tests run at approximately at the pump inlet were noted before complete pump performance 50 percent of the nominal operating speed, two phase conditions were achieved. Vapor volumes of 40 to 50 percent at the pump inlet were noted before complete pump performance loss. The experimental results compared to predictions. Nine cavitation tests run at the nominal pump speed over a 5 K temperature range showed progressively lower net positive suction head (NPSH) requirements as temperature was increased. Two-phase operation was not achieved. The temperature varying NPSH data were used to calculate thermodynamic effects on NPSH, and the results were compared to existing data.

  11. Sorption equilibrium of a wide spectrum of organic vapors in Leonardite humic acid: modeling of experimental data.

    PubMed

    Niederer, Christian; Goss, Kai-Uwe; Schwarzenbach, Renè P

    2006-09-01

    In a recent publication we presented experimental Leonardite humic acid/air partition coefficients for 188 polar and nonpolar organic compounds measured with one consistent method. In this paper these experimental data are evaluated with various model predictions. For the PcKocWIN model some major shortcomings become apparent. The octanol-based Karickhoff-model exhibits a good performance for the nonpolar compounds but not for the polar ones. A good description of the whole data set is achieved with a polyparameter linear free energy relationship (pp-LFER) that explicitly accounts for the nonpolar (van der Waals and cavity formation) and polar (electron donor/acceptor) interactions between the sorbate molecule and the sorbent phase. With this pp-LFER model, most of the humic acid/air partition coefficients could be predicted within a factor of 2. The pp-LFER model also successfully predicts organic-C/water partition coefficients (K(ioc)) collected from the literature when it is combined with a pp-LFER for air/water partition coefficients. This supports our earlier conclusion that the thermodynamic cycle is applicable in the humic acid/water/air system. Based on our experimental data, we present a pp-LFER-model for humic acid/air and humic acid/water partitioning at any ambient temperatures. PMID:16999113

  12. Correlation Between Experimental and Calculated Phase Fractions in Aged 20Cr32Ni1Nb Austenitic Stainless Steels Containing Nitrogen

    NASA Astrophysics Data System (ADS)

    Dewar, Matthew P.; Gerlich, Adrian P.

    2013-02-01

    A centrifugally cast 20Cr32Ni1Nb stainless steel manifold in service for 16 years at temperatures ranging from 1073 K to 1123 K (800 °C to 850 °C) has been characterized using scanning electron microscopy (SEM), electron probe micro-analysis (EPMA), auger electron spectroscopy (AES), and X-ray diffraction (XRD). Nb(C,N), M23C6, and the silicide G-phases (Ni16Nb6Si7) were all identified in a conventional SEM, while the nitride Z-phase (CrNbN) was observed only in AES. M23C6, Z-phase and G-phase were characterized in XRD. Thermodynamic equilibrium calculations using ThermoCalc Version S, with the TCS Steel and Fe-alloys Database (TCFE6), and Thermotech Ni-based Superalloys Database (TTNI8) were validated by comparing experimental phase fraction results obtained from both EPMA and AES. A computational study looking at variations in the chemical composition of the alloy, and how they affect phase equilibria, was investigated. Increasing the nitrogen concentration is shown to decrease G-phase formation, where it is replaced by other intermetallic phases such as Z-phase and π-phase that do not experience liquation during pre-weld annealing treatments. Suppressing G-phase formation was ultimately determined to be a function of minimizing silicon content, and understabilizing the Nb/(C + 6/7N) ratio.

  13. Recent advances in the CRANK software suite for experimental phasing

    SciTech Connect

    Pannu, Navraj S. Waterreus, Willem-Jan; Skubák, Pavol; Sikharulidze, Irakli; Abrahams, Jan Pieter; Graaff, Rudolf A. G. de

    2011-04-01

    Recent developments in the CRANK software suite for experimental phasing have led to many more structures being built automatically. For its first release in 2004, CRANK was shown to effectively detect and phase anomalous scatterers from single-wavelength anomalous diffraction data. Since then, CRANK has been significantly improved and many more structures can be built automatically with single- or multiple-wavelength anomalous diffraction or single isomorphous replacement with anomalous scattering data. Here, the new algorithms that have been developed that have led to these substantial improvements are discussed and CRANK’s performance on over 100 real data sets is shown. The latest version of CRANK is freely available for download at http://www.bfsc.leidenuniv.nl/software/crank/ and from CCP4 (http://www.ccp4.ac.uk/)

  14. Experimental demonstration of microring quadrature phase-shift keying modulators.

    PubMed

    Dong, Po; Xie, Chongjin; Chen, Long; Fontaine, Nicolas K; Chen, Young-kai

    2012-04-01

    Advanced optical modulation formats are a key technology to increase the capacity of optical communication networks. Mach-Zehnder modulators are typically used to generate various modulation formats. Here, we report the first experimental demonstration of quadrature phase-shift keying (QPSK) modulation using compact microring modulators. Generation of 20 Gb/s QPSK signals is demonstrated with 30 μm radius silicon ring modulators with drive voltages of ~6 V. These compact QPSK modulators may be used in miniature optical transponders for high-capacity optical data links. PMID:22466187

  15. Water-saturated phase-equilibrium experiments on rhyolite and dacite obsidians: the effect of variable melt water concentration on the composition of phenocrysts

    NASA Astrophysics Data System (ADS)

    Waters, L.; Lange, R. A.; Andrews, B. J.

    2012-12-01

    Results of water-saturated phase equilibrium experiments on three obsidians ranging in composition from dacite to rhyolite (67-74 wt% SiO2) are presented and demonstrate the effect of changing melt water concentrations on the composition of plagioclase and orthopyroxene phenocrysts. Experiments were conducted in a cold-seal Ni-rich pressure vessel (Waspaloy) with Ni filler rod, so that experiments were buffered at ΔNNO +1 (± 0.5) (Gershwind & Rutherford, 1992) and pressurized with H2O (where Ptotal= PH2O). Temperatures ranged from 750-900°C and pressures ranged from 100-300 MPa. Prior to the experiments, detailed petrologic studies were first conducted on the three obsidian samples, which are from Cascade and Mexican arcs. Overall phenocryst abundances in all three samples are low (<2.3%), with little to no microlite crystallization. Despite low phenocryst abundances, the obsidians are saturated in five to seven mineral phases: plagioclase + orthopyroxene + ilmenite + magnetite + apatite ± clinopyroxene ± biotite. Eruptive temperatures (±1σ), on the basis of Fe-Ti two oxide thermometry (Ghiorso & Evans, 2008), range from 760 ± 18°C to 943 ± 20°C; corresponding ΔNNO values (±1σ) range from -0.9 ± 0.1 and 0.7 ± 0.1. Plagioclase compositions span a wide range in each sample (e.g., 9-40 and 30-54 mol% An), despite low phenocryst abundances. Orthopyroxene compositions also span a wide range (≤ 15 mol% En), which correspond to Fe-MgKD(opx-liq) values that range from 0.18-0.46. Given the low crystallinity, absence of evidence for mixing of magmas, and no apparent change in oxygen fugacity recorded by iron oxides, the progressive loss of water from a melt, through degassing during rapid magma ascent, is a plausible hypothesis to explain the observed variation in phenocryst compositions. This hypothesis is evaluated with the run products from the water-saturated phase equilibrium experiments on the three obsidian samples. The experimental results indicate

  16. Swelling equilibrium of dentin adhesive polymers formed on the water-adhesive phase boundary: Experiments and micromechanical model

    PubMed Central

    Misra, Anil; Parthasarathy, Ranganathan; Ye, Qiang; Singh, Viraj; Spencer, Paulette

    2013-01-01

    During their application to the wet, oral environment, dentin adhesives can experience phase separation and composition change which can compromise the quality of the hybrid layer formed at the dentin-adhesive interface. The chemical composition of polymer phases formed in the hybrid layer can be represented using a ternary water-adhesive phase diagram. In this paper, these polymer phases have been characterized using a suite of mechanical tests and swelling experiments. The experimental results were evaluated using granular micromechanics based model that incorporates poro-mechanical effects and polymer-solvent thermodynamics. The variation of the model parameters and model-predicted polymer properties has been studied as a function of composition along the phase boundary. The resulting structure-property correlations provide insight into interactions occurring at the molecular level in the saturated polymer system. These correlations can be used for modeling the mechanical behavior of hybrid layer, and are expected to aid in the design and improvement of water-compatible dentin adhesive polymers. PMID:24076070

  17. Swelling equilibrium of dentin adhesive polymers formed on the water-adhesive phase boundary: experiments and micromechanical model.

    PubMed

    Misra, A; Parthasarathy, R; Ye, Q; Singh, V; Spencer, P

    2014-01-01

    During their application to the wet, oral environment, dentin adhesives can experience phase separation and composition change, which can compromise the quality of the hybrid layer formed at the dentin-adhesive interface. The chemical composition of polymer phases formed in the hybrid layer can be represented using a ternary water-adhesive phase diagram. In this paper, these polymer phases are characterized using a suite of mechanical tests and swelling experiments. The experimental results were evaluated using a granular micromechanics-based model incorporating poro-mechanical effects and polymer-solvent thermodynamics. The variation in the model parameters and model-predicted polymer properties was studied as a function of composition along the phase boundary. The resulting structure-property correlations provide insight into interactions occurring at the molecular level in the saturated polymer system. These correlations can be used for modeling the mechanical behavior of the hybrid layer, and are expected to aid in the design and improvement of water-compatible dentin adhesive polymers. PMID:24076070

  18. Experimental study of a two-phase surface jet

    NASA Astrophysics Data System (ADS)

    Perret, Matias; Esmaeilpour, Mehdi; Politano, Marcela S.; Carrica, Pablo M.

    2013-04-01

    Results of an experimental study of a two-phase jet are presented, with the jet issued near and below a free surface, parallel to it. The jet under study is isothermal and in fresh water, with air injectors that allow variation of the inlet air volume fraction between 0 and 13 %. Measurements of water velocity have been performed using LDV, and the jet exit conditions measured with PIV. Air volume fraction, bubble velocity and chord length distributions were measured with sapphire optical local phase detection probes. The mean free surface elevation and RMS fluctuations were obtained using local phase detection probes as well. Visualization was performed with laser-induced fluorescence. Measurements reveal that the mean free surface elevation and turbulent fluctuations significantly increase with the injection of air. The water normal Reynolds stresses are damped by the presence of bubbles in the bulk of the liquid, but very close to the free surface the effect is reversed and the normal Reynolds stresses increase slightly for the bubbly flow. The Reynolds shear stresses < {u^' } w^' } } rangle decrease when bubbles are injected, indicating turbulence attenuation, and are negative at deeper locations, as turbulent eddies shed downward carry high axial momentum deeper into the flow. Flow visualization reveals that the two-phase jet is lifted with the presence of bubbles and reaches the free surface sooner. Significant bubble coalescence is observed, leading to an increase in mean bubble size as the jet develops. The coalescence near the free surface is particularly strong, due to the time it takes the bubbles to pierce the free surface, resulting in a considerable increase in the local air volume fraction. In addition to first explore a bubbly surface jet, the comprehensive dataset reported herein can be used to validate two-phase flow models and computational tools.

  19. Reaction of plutonium with water kinetic and equilibrium behavior of binary and ternary phases in the Pu + O + H system

    SciTech Connect

    Haschke, J.M.; Hodges, A.E. III; Bixby, G.E.; Lucas, R.L.

    1983-02-03

    The kinetic and equilibrium behavior of the Pu + O + H system has been studied by measuring the production of hydrogen gas formed by a sequence of hydrolysis reactions. The kinetic dependence of the Pu + H/sub 2/O reaction on salt concentration and temperature has been defined. The metal is quantitatively converted to a fine black powder which has been identified as plutonium monoxide monohydride, PuOH. Other hydrolysis products formed in aqueous media include a second oxide hydride, Pu/sub 7/O/sub 9/H/sub 3/, and the oxides Pu/sub 2/O/sub 3/, Pu/sub 7/O/sub 12/, Pu/sub 9/O/sub 16/, Pu/sub 10/O/sub 18/, Pu/sub 12/O/sub 22/, and PuO/sub 2/. Thermal decomposition products of PuOH include Pu/sub 2/O/sub 2/H and PuO. A tentative phase diagram for Pu + O + H is presented and structural relationships of the oxide hydrides and oxides are discussed. 10 figures, 5 tables.

  20. Phase equilibrium modeling, fluid inclusions and origin of charnockites in the Datian region of the northeastern Cathaysia Block, South China

    NASA Astrophysics Data System (ADS)

    Yang, Xiao-Qiang; Li, Zi-Long; Yu, Sheng-Qiang

    2016-08-01

    Charnockites in the Datian region of the northeastern Cathaysia Block, South China have an assemblage of garnet, clinopyroxene, orthopyroxene, plagioclase, anti-perthite, K-feldspar, biotite, quartz and ilmenite. Phase equilibrium modeling indicates that the Datian charnockite was formed at T = 845-855 °C and P = 8.2-8.4 kbar with corresponding water activity lower than 0.50. Fluid inclusions in the Datian charnockite are dominated by N2 and CO2 with minor CH4. The fluids homogenized to liquid at -153.0 to -138.8 °C and 18.3-21.6 °C, respectively, showing a low-density nature. The low-density fluids could be attributed to selective leakage of water due to the affinity of water to melt and decompression-dominated retrograde process. Combined with previous studies, a two-stage formation model is proposed to interpret the petrogenesis of the Datian charnockite, viz emplaced at the Paleoproterozoic and underwent the granulite-facies metamorphism during the Phanerozoic tectonic event.

  1. Experimental measurements within a phase change metallurgical reactor

    NASA Astrophysics Data System (ADS)

    Bertrand, C.; Désilets, M.; Soucy, G.

    2011-12-01

    The measurement of solidification front evolution is essential for the optimization and control of many important metallurgical processes. However, this measurement is tedious, imprecise, and time consuming. More generally, industry needs reliable instruments for the thermal characterization of phase change reactors. This paper enables researchers with means and instruments to study the thermal behavior of processes involving the transformation of phase change materials up to 1000 °C. In this work, an original experimental setup is described to analyze the behavior of two high temperature phase change materials: zinc and molten salts. In particular, it is possible to evaluate the 2D solid solidification front evolution with time. The measurements done with zinc show the presence of two thermal regimes. A solidification rate of 20 mm h-1 is measured with two different approaches: thermocouples and a mechanical probe. Finally, an infrared camera is also used to make the link between the external thermal behavior and the solidification front evolution inside the reactor. When implemented within an inverse numerical method, the use of this instrument as a new external sensor looks promising.

  2. Transmission and phase balancing of alternating phase-shifting masks (5x): theoretical and experimental results

    NASA Astrophysics Data System (ADS)

    Griesinger, Uwe A.; Pforr, Rainer; Knobloch, Juergen; Friedrich, Christoph M.

    1999-12-01

    Dual trench alternating phase shifting masks with an optimized value of the so-called shallow trench depth represents an interesting approach to overcome aerial image imbalances. In order to get a better understanding of the possibilities and limits of this approach, especially for 5X reduction, theoretical and experimental investigations were accomplished. In this paper experimental data obtained from 5X dual trench type alternating PSMs, using DUV-lithography are introduced and compared with 3D-mask simulations. The masks were fabricated with different etch depths and contain parts of typical DRAM patterns. Besides the transmission balancing also the phase balancing has an important influence on the effective process window of an alternating PSM. The effective phase error can be measured with an AIMS-system (MSM100). The comparison with simulated data allows the determination of the phase error. In a second step the influence of different balancing methods on phase and transmission were investigated with the TEMPEST mask simulator for unpolarized light. The optimization of the balancing with respect to the CD-bias, undercut and etch depth will be shown and a first approach of a sensitivity analysis will be presented.

  3. An experimental study of trace element partitioning between olivine, orthopyroxene and melt in chondrules - Equilibrium values and kinetic effects

    NASA Technical Reports Server (NTRS)

    Kennedy, A. K.; Lofgren, G. E.; Wasserburg, G. J.

    1993-01-01

    Mineral/melt partition coefficients were measured using an ion microprobe for 32 elements in orthopyroxene and olivine in equilibrium and dynamic crystallization experiments on compositions corresponding to chondrules. The mineral/melt partition coefficients calculated from the measured concentrations for both olivine and orthopyroxene show very little change between equilibrium experiments and dynamic experiments with cooling rates of up to 100 C/h. The results provide a self-consistent set of partition coefficients that can be used in thermodynamic models of equilibrium and kinetic partitioning between olivine, orthopyroxene, and melt. These data can be used in models of partial melting and crystal fractionation in olivine- and orthopyroxene-rich systems, such as chondrules. The results may also be applicable to mantle peridotites, komatiitic and picritic lavas, and ultramafic intrusions.

  4. Experimental and Theoretical Studies on Two-Phase Flows.

    NASA Astrophysics Data System (ADS)

    Koh, Christopher James

    This thesis, comprised of two parts, deals with the flow of suspensions. Part I concerns specifically with the stability of a single drop translating through a quiescent, unbounded suspending fluid at low Reynolds number. The evolution of the shape of an initially nonspherical drop as it translates is studied numerically and experimentally. For finite capillary numbers, it is shown that the drop reverts to a sphere provided that the initial deformation is small enough. However, beyond certain critical initial deformation, the drop deforms continuously. For initially prolate shapes, the drop elongates with the formation of a tail; for initially oblate shapes, the drop flattens with the formation of a cavity at its rear. Experiments extend the numerical results. It is found that initially unstable prolate drops break up into multiple droplets, while initially unstable oblate drops deform in double-emulsion drops. Part II of this thesis considers the flow of high concentration solid suspensions through a rectangular channel. By adapting the well-known Laser Doppler Anemometry, an experimental technique is developed to measure the velocity as well as particle volume fraction of the suspension. A crucial element in these experiments is the reduction of the optical turbidity of the suspension. To accomplish this goal, a systematic method based on refractive-index-matching of the two phases is employed. Experimental results show that the velocity profile is blunted while the concentration profile has a maximum near the center. The qualitative features of the experimental data compare reasonably well with theoretical predictions based on the shear-induced particle migration theory.

  5. Catalytic supercritical water gasification of primary paper sludge using a homogeneous and heterogeneous catalyst: Experimental vs thermodynamic equilibrium results.

    PubMed

    Louw, Jeanne; Schwarz, Cara E; Burger, Andries J

    2016-02-01

    H2, CH4, CO and CO2 yields were measured during supercritical water gasification (SCWG) of primary paper waste sludge (PWS) at 450°C. Comparing these yields with calculated thermodynamic equilibrium values offer an improved understanding of conditions required to produce near-equilibrium yields. Experiments were conducted at different catalyst loads (0-1g/gPWS) and different reaction times (15-120min) in a batch reactor, using either K2CO3 or Ni/Al2O3-SiO2 as catalyst. K2CO3 up to 1g/gPWS increased the H2 yield significantly to 7.5mol/kgPWS. However, these yields and composition were far from equilibrium values, with carbon efficiency (CE) and energy recovery (ER) of only 29% and 20%, respectively. Addition of 0.5-1g/gPWS Ni/Al2O3-SiO2 resulted in high H2 and CH4 yields (6.8 and 14.8mol/kgPWS), CE of 84-90%, ER of 83% and a gas composition relatively close to the equilibrium values (at hold times of 60-120min). PMID:26638140

  6. Replacement of barite by a (Ba,Ra)SO4 solid solution at close-to-equilibrium conditions: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Brandt, F.; Curti, E.; Klinkenberg, M.; Rozov, K.; Bosbach, D.

    2015-04-01

    Solid solution formation between RaSO4 and BaSO4 has long been recognized as a process which potentially controls the Ra concentration in the environment. Here, we have systematically studied the replacement of pure barite by a (Ba,Ra)SO4 solid solution in 0.1 M NaCl through batch experiments extending up to 883 days at close-to-equilibrium (CTE) conditions, which are relevant to disposal of nuclear waste in a deep geological repository. Kinetic and thermodynamic models were applied to support the interpretation of the experiments, which were carried out at room temperature and at two distinct solid/liquid ratio (0.5 or 5 g/L). Different stages of recrystallization were observed, based on the rate of removal of Ra from aqueous solution. After a first slow kinetic step, a change in the slope of the aqueous Ra concentration vs. time is observed, suggesting nucleation of a new (Ba,Ra)SO4 phase from supersaturation. If this stage was considered to reflect equilibrium between aqueous and solid solution, one would infer ideality or even negative interaction parameters (a0 ⩽ 0). After this fast nucleation step, in the 0.5 g/L experiments the Ra concentrations in the aqueous solution slowly increase, approaching a concentration close to that required for equilibrium with a regular (Ba,Ra)SO4 solid solution with an interaction parameter a0 = 1.0. Therefore, these data suggest a non-equilibrium Ra entrapment during the nucleation phase of the replacement, followed by slow recrystallization toward true thermodynamic solid solution equilibrium. Moreover, an interaction parameter value of a0 = 1.0 was inferred from our experiments, which is in good agreement with theoretical predictions from atomistic simulations. A key result from this study is that aqueous solution and binary (Ba,Ra)SO4 approach full thermodynamic equilibrium within laboratory time scales (2.5 years). This justifies assuming complete thermodynamic equilibrium for this system in geochemical calculations of

  7. Non-aqueous-phase fluids in heterogeneous aquifers -- experimental study

    SciTech Connect

    Illangasekare, T.H.; Yates, D.N.; Armbruster, E.J. III.

    1995-08-01

    Understanding of flow and entrapment of non-aqueous-phase liquids (NAPLs) in aquifers contaminated with organic chemicals is important in the effective design of recovery and remediation schemes. Soil heterogeneities play a significant role in the physical behavior of these chemicals. An experimental facility consisting of a large soil tank (lysimeter) and a dual-gamma spectroscopy system for fluid saturation measurements was developed to simulate and monitor plume migration in water-table aquifers after chemical spills. Experimental techniques and results form a preliminary set of experiments conducted in unsaturated and saturated soils under homogeneous and heterogeneous conditions are presented. the effects of the layered homogeneities were pronounced in modifying the migration pattern and velocity of the plume. Pockets of coarse sand placed across the path of the plume resulted in the soil acting as a light NAPL trap. A fine-sand pocket acted as a barrier. Qualitative and quantitative data generated in the type of experiments presented in this paper can be used to validate multiphase flow models.

  8. Phase Equilibria of ``Cu2O''-``FeO''-CaO-MgO-Al2O3 Slags at PO2 of 10-8.5 atm in Equilibrium with Metallic Copper for a Copper Slag Cleaning Production

    NASA Astrophysics Data System (ADS)

    Henao, Hector M.; Pizarro, Claudio; Font, Jonkion; Moyano, Alex; Hayes, Peter C.; Jak, Evgueni

    2010-12-01

    Limited data are available on phase equilibria of the multicomponent slag system at the oxygen partial pressures used in the copper smelting, converting, and slag-cleaning processes. Recently, experimental procedures have been developed and have been applied successfully to characterize several complex industrial slags. The experimental procedures involve high-temperature equilibration on a substrate and quenching followed by electron probe X-ray microanalysis. This technique has been used to construct the liquidus for the “Cu2O”-“FeO”-SiO2-based slags with 2 wt pct of CaO, 0.5 wt pct of MgO, and 4.0 wt pct of Al2O3 at controlled oxygen partial pressures in equilibrium with metallic copper. The selected ranges of compositions and temperatures are directly relevant to the copper slag-cleaning processes. The new experimental equilibrium results are presented in the form of ternary sections and as a liquidus temperature vs Fe/SiO2 weight ratio diagram. The experimental results are compared with the FactSage thermodynamic model calculations.

  9. Phase equilibrium data for coal-derived liquids: mixture of model compounds. Subcontracted R and D final report

    SciTech Connect

    Mehta, D.C.; Craft, S.; Ho, C.

    1984-05-01

    ICRC initiated a test program to develop VLE and enthalpy data on selected model compounds and on well-defined coal liquids. The results obtained from the model compounds would be used to improve existing correlations in their application to coal liquefaction equipment design. The data on the coal liquids would be helpful in optimizing the design and operation of the corresponding equipment in the SRC-I Demonstration Plant. The overall test program was divided into four tasks: (1) Sample Acquisition and Preparation, (2) VLE Measurements, (3) Enthalpy Measurements, and (4) Analytical Characterization. Tasks 1 and 4 were performed by Air Products and Chemicals, Inc. (APCI). Task 2 was contracted to Chromaspec Corp., and Task 3 was performed by Colorado School of Mines (CSM). The ICRC work at Chromaspec was divided into two phases: the first phase covered VLE measurements of model compounds and coal liquids in the presence of hydrogen-rich gas at demonstration plant operating conditions; the second phase reported herein, covers VLE measurements on mixtures of polar model compounds. The results of the VLE measurements on mixtures of model compounds are presented in the attached Chromaspec report. The timing of the availability of results from Chromaspec did not permit incorporating them in the correlation development work at APCI. In spite of the schedule, the work at Chromaspec was continued so that the experimental setup could be fully utilized to develop all the necessary VLE data on the coal liquids and model compounds. 4 references.

  10. Dynamic Phase Relations in Ascending Silicic Magmas: Insights from Experimental Decompression of Mount St. Helens Rhyodacite

    NASA Astrophysics Data System (ADS)

    Riker, J. M.; Blundy, J. D.; Rust, A.

    2011-12-01

    Ascent-driven degassing and crystallization play a major role in modulating the chemical and physical properties of erupting magmas. Previous experimental studies of ascent-driven crystallization have focused on instantaneous or stepped decompression, measuring a response to discrete imposed undercoolings. More recently, technical advances have enabled the study of magmas undergoing slow decompression at controlled rates. In these instances, undercooling is a variable, not a constant. Time-dependent changes in effective undercooling may generate complex textural or compositional variations as the relevant liquidus shifts and kinetically-favored phases compete for components. The challenge is to extract meaningful information from rocks that have experienced a time-integrated history of crystallization and vesiculation. To address this problem, we have performed a series of dynamic decompression experiments on a hydrous Mount St. Helens rhyodacite. Each sample was first equilibrated at conditions inferred for the shallow 1980 magma chamber (200 MPa and 880-900 °C), then isothermally decompressed at a constant rate (1-1000 MPa/hr). Charges quenched at different pressures yield syn-eruptive 'snapshots' of the decompressing system. We use these snapshots to assess how kinetics governs the stabilities of multiple phases (plagioclase, amphibole, orthopyroxene, and Fe-Ti oxides) as a function of depth and decompression rate. Our results can be qualitatively summarized by 'dynamic phase diagrams' that define the crystallizing phases in quench pressure-decompression rate space. Such diagrams are useful for two reasons: (1) they provide a means of relating observed rock textures to quench pressures and decompression rates for the simple case of continuous ascent, and (2) they identify the dominant crystallizing phases across a range of conditions. Our initial results show that, as in other silicic systems, plagioclase is often the principal crystallizing phase; however

  11. Shape characteristics of equilibrium and non-equilibrium fractal clusters

    NASA Astrophysics Data System (ADS)

    Mansfield, Marc L.; Douglas, Jack F.

    2013-07-01

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

  12. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    PubMed

    Mansfield, Marc L; Douglas, Jack F

    2013-07-28

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

  13. Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation

    NASA Astrophysics Data System (ADS)

    Wania, F.; Lei, Y. D.; Wang, C.; Abbatt, J. P. D.; Goss, K.-U.

    2015-03-01

    Many atmospheric and chemical variables influence the partitioning equilibrium between gas phase and condensed phases of compounds implicated in the formation of secondary organic aerosol (SOA). The large number of factors and their interaction makes it often difficult to assess their relative importance and concerted impact. Here we introduce a two-dimensional space which maps regions of dominant atmospheric phase distribution within a coordinate system defined by equilibrium partition coefficients between the gas phase, an aqueous phase and a water-insoluble organic matter (WIOM) phase. Placing compounds formed from the oxidation of n-alkanes, terpenes and mono-aromatic hydrocarbons on the maps based on their predicted partitioning properties allows for a simple graphical assessment of their equilibrium phase distribution behaviour. Specifically, it allows for the simultaneous visualisation and quantitative comparison of the impact on phase distribution of changes in atmospheric parameters (such as temperature, salinity, WIOM-phase polarity, organic aerosol load, and liquid water content) and chemical properties (such as oxidation state, molecular size, functionalisation, and dimerisation). The graphical analysis reveals that the addition of hydroxyl, carbonyl and carboxyl groups increases the affinity of aliphatic, alicyclic and aromatic hydrocarbons for the aqueous phase more rapidly than their affinity for WIOM, suggesting that the aqueous phase may often be relevant even for substances that are considerably larger than the C2 and C3 compounds that are typically believed to be associated with aqueous SOA. In particular, the maps identify some compounds that contribute to SOA formation if partitioning to both WIOM and aqueous phase is considered but would remain in the gas phase if either condensed phase were neglected. For example, many semi-volatile α-pinene oxidation products will contribute to aqueous SOA under the conditions of high liquid water content

  14. Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation

    NASA Astrophysics Data System (ADS)

    Wania, F.; Lei, Y. D.; Wang, C.; Abbatt, J. P. D.; Goss, K.-U.

    2014-10-01

    Many atmospheric and chemical variables influence the partitioning equilibrium between gas phase and condensed phases of compounds implicated in the formation of secondary organic aerosol (SOA). The large number of factors and their interaction makes it often difficult to assess their relative importance and concerted impact. Here we introduce a two-dimensional space, which maps regions of dominant atmospheric phase distribution within a coordinate system defined by equilibrium partitioning coefficients between the gas phase, an aqueous phase and a water insoluble organic matter (WIOM) phase. Placing compounds formed from the oxidation of n-alkanes, terpenes and mono-aromatic hydrocarbons on the maps based on their predicted partitioning properties allows for a simple graphical assessment of their equilibrium phase distribution behaviour. Specifically, it allows for the simultaneous visualization and quantitative comparison of the impact on phase distribution of changes in atmospheric parameters (such as temperature, salinity, WIOM phase polarity, organic aerosol load, and liquid water content), and chemical properties (such as oxidation state, molecular size, functionalization, and dimerisation). The graphical analysis reveals that the addition of hydroxyl, carbonyl and carboxyl groups increases the affinity of aliphatic, alicyclic and aromatic hydrocarbons for the aqueous phase more rapidly than their affinity for WIOM, suggesting that the aqueous phase may often be relevant even for substances that are considerably larger than the C2 and C3 compounds that are typically believed to be associated with aqueous SOA. In particular, the maps identify some compounds that contribute to SOA formation if partitioning to both WIOM and aqueous phase is considered, but would remain in the gas phase if either condensed phase were neglected. For example, many semi-volatile α-pinene oxidation products will contribute to aqueous SOA under the high liquid water content

  15. Application of Molecular Interaction Volume Model for Phase Equilibrium of Sn-Based Binary System in Vacuum Distillation

    NASA Astrophysics Data System (ADS)

    Kong, Lingxin; Yang, Bin; Xu, Baoqiang; Li, Yifu

    2014-09-01

    Based on the molecular interaction volume model (MIVM), the activities of components of Sn-Sb, Sb-Bi, Sn-Zn, Sn-Cu, and Sn-Ag alloys were predicted. The predicted values are in good agreement with the experimental data, which indicate that the MIVM is of better stability and reliability due to its good physical basis. A significant advantage of the MIVM lies in its ability to predict the thermodynamic properties of liquid alloys using only two parameters. The phase equilibria of Sn-Sb and Sn-Bi alloys were calculated based on the properties of pure components and the activity coefficients, which indicates that Sn-Sb and Sn-Bi alloys can be separated thoroughly by vacuum distillation. This study extends previous investigations and provides an effective and convenient model on which to base refining simulations for Sn-based alloys.

  16. Experimental investigation of bioethanol liquid phase dehydration using natural clinoptilolite

    PubMed Central

    Karimi, Samira; Ghobadian, Barat; Omidkhah, Mohammad-Reza; Towfighi, Jafar; Tavakkoli Yaraki, Mohammad

    2016-01-01

    An experimental study of bioethanol adsorption on natural Iranian clinoptilolite was carried out. Dynamic breakthrough curves were used to investigate the best adsorption conditions in bioethanol liquid phase. A laboratory setup was designed and fabricated for this purpose. In order to find the best operating conditions, the effect of liquid pressure, temperature and flow rate on breakthrough curves and consequently, maximum ethanol uptake by adsorbent were studied. The effects of different variables on final bioethanol concentration were investigated using Response Surface Methodology (RSM). The results showed that by working at optimum condition, feed with 96% (v/v) initial ethanol concentration could be purified up to 99.9% (v/v). In addition, the process was modeled using Box–Behnken model and optimum operational conditions to reach 99.9% for final ethanol concentration were found equal to 10.7 °C, 4.9 bar and 8 mL/min for liquid temperature, pressure and flow rate, respectively. Therefore, the selected natural Iranian clinoptilolite was found to be a promising adsorbent material for bioethanol dehydration process. PMID:27222748

  17. Experimental investigation of bioethanol liquid phase dehydration using natural clinoptilolite.

    PubMed

    Karimi, Samira; Ghobadian, Barat; Omidkhah, Mohammad-Reza; Towfighi, Jafar; Tavakkoli Yaraki, Mohammad

    2016-05-01

    An experimental study of bioethanol adsorption on natural Iranian clinoptilolite was carried out. Dynamic breakthrough curves were used to investigate the best adsorption conditions in bioethanol liquid phase. A laboratory setup was designed and fabricated for this purpose. In order to find the best operating conditions, the effect of liquid pressure, temperature and flow rate on breakthrough curves and consequently, maximum ethanol uptake by adsorbent were studied. The effects of different variables on final bioethanol concentration were investigated using Response Surface Methodology (RSM). The results showed that by working at optimum condition, feed with 96% (v/v) initial ethanol concentration could be purified up to 99.9% (v/v). In addition, the process was modeled using Box-Behnken model and optimum operational conditions to reach 99.9% for final ethanol concentration were found equal to 10.7 °C, 4.9 bar and 8 mL/min for liquid temperature, pressure and flow rate, respectively. Therefore, the selected natural Iranian clinoptilolite was found to be a promising adsorbent material for bioethanol dehydration process. PMID:27222748

  18. Experimental Investigation of Ice Phase Change Material Heat Exchangers

    NASA Technical Reports Server (NTRS)

    Leimkuehler, Thomas O.; Stephan, Ryan A.

    2012-01-01

    Phase change materials (PCM) may be useful for spacecraft thermal control systems that involve cyclical heat loads or cyclical thermal environments. Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. This can result in a decreased turndown ratio for the radiator and a reduced system mass. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents an overview of the results of this investigation from the past three years.

  19. Experimental Investigation of Ice Phase Change Material Heat Exchangers

    NASA Technical Reports Server (NTRS)

    Leimkuehler, Thomas O.; Stephan, Ryan A.

    2011-01-01

    Phase change materials (PCM) may be useful for spacecraft thermal control systems that involve cyclical heat loads or cyclical thermal environments. Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. This can result in a decreased turndown ratio for the radiator and a reduced system mass. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents an overview of the results of this investigation from the past three years.

  20. Experimental verification of equilibrium para-hydrogen levels in hydrogen moderators irradiated by spallation neutrons at J-PARC

    NASA Astrophysics Data System (ADS)

    Teshigawara, M.; Harada, M.; Tatsumoto, H.; Aso, T.; Ohtsu, K.; Takada, H.; Futakawa, M.; Ikeda, Y.

    2016-02-01

    By sampling gaseous hydrogen from a circulating liquid hydrogen loop for Laser Raman spectroscopy, we measured the para-/ortho-hydrogen fractions in liquid hydrogen under neutron irradiation for the first time to identify whether irradiated hydrogen has an elevated ortho-hydrogen fraction. This measurement indicates that para-hydrogen equilibrium persists at 300 kW proton power in the presence of an iron(III) oxide hydroxide [Fe(OH)3] catalyst. The measurements will be repeated as the power at the Japan Proton Accelerator Research Complex (J-PARC) increases to the MW level.

  1. Determination of methane concentrations in water in equilibrium with sI methane hydrate in the absence of a vapor phase by in situ Raman spectroscopy

    USGS Publications Warehouse

    Lu, W.; Chou, I.-Ming; Burruss, R.C.

    2008-01-01

    Most submarine gas hydrates are located within the two-phase equilibrium region of hydrate and interstitial water with pressures (P) ranging from 8 to 60 MPa and temperatures (T) from 275 to 293 K. However, current measurements of solubilities of methane in equilibrium with hydrate in the absence of a vapor phase are limited below 20 MPa and 283.15 K, and the differences among these data are up to 30%. When these data were extrapolated to other P-T conditions, it leads to large and poorly known uncertainties. In this study, in situ Raman spectroscopy was used to measure methane concentrations in pure water in equilibrium with sI (structure one) methane hydrate, in the absence of a vapor phase, at temperatures from 276.6 to 294.6 (??0.3) K and pressures at 10, 20, 30 and 40 (??0.4%) MPa. The relationship among concentration of methane in water in equilibrium with hydrate, in mole fraction [X(CH4)], the temperature in K, and pressure in MPa was derived as: X(CH4) = exp [11.0464 + 0.023267 P - (4886.0 + 8.0158 P)/T]. Both the standard enthalpy and entropy of hydrate dissolution at the studied T-P conditions increase slightly with increasing pressure, ranging from 41.29 to 43.29 kJ/mol and from 0.1272 to 0.1330 kJ/K ?? mol, respectively. When compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for methane concentration measurements eliminates possible uncertainty caused by sampling and ex situ analysis, (2) it is simple and efficient, and (3) high-pressure data can be obtained safely. ?? 2007 Elsevier Ltd. All rights reserved.

  2. Phase equilibrium in argon films stabilized by homogeneous surfaces and thermodynamics of two-stage melting transition

    SciTech Connect

    Ustinov, E. A.

    2014-02-21

    Freezing of gases adsorbed on open surfaces (e.g., graphite) and in narrow pores is a widespread phenomenon which is a subject of a large number of publications. Modeling of the gas/liquid–solid transition is usually accomplished with a molecular simulation technique. However, quantitative analysis of the gas/liquid–solid coexistence and thermodynamic properties of the solid layer still encounters serious difficulties. This is mainly due to the effect of simulation box size on the lattice constant. Since the lattice constant is a function of loading and temperature, once the ordering transition has occurred, the simulation box size must be corrected in the course of simulation according to the Gibbs–Duhem equation. A significant problem is also associated with accurate prediction of the two-dimensional liquid–solid coexistence because of a small difference in densities of coexisting phases. The aim of this study is thermodynamic analysis of the two-dimensional phase coexistence in systems involving crystal-like free of defects layers in narrow slit pores. A special attention was paid to the determination of triple point temperatures. It is shown that intrinsic properties of argon monolayer adsorbed on the graphite surface are similar to those of isolated monolayer accommodated in the slit pore having width of two argon collision diameters. Analysis of the latter system is shown to be clearer and less time-consuming than the former one, which has allowed for explanation of the experimentally observed two-stage melting transition of argon monolayer on graphite without invoking the periodic surface potential modulation and orientational transition.

  3. Phase equilibrium in argon films stabilized by homogeneous surfaces and thermodynamics of two-stage melting transition.

    PubMed

    Ustinov, E A

    2014-02-21

    Freezing of gases adsorbed on open surfaces (e.g., graphite) and in narrow pores is a widespread phenomenon which is a subject of a large number of publications. Modeling of the gas/liquid-solid transition is usually accomplished with a molecular simulation technique. However, quantitative analysis of the gas/liquid-solid coexistence and thermodynamic properties of the solid layer still encounters serious difficulties. This is mainly due to the effect of simulation box size on the lattice constant. Since the lattice constant is a function of loading and temperature, once the ordering transition has occurred, the simulation box size must be corrected in the course of simulation according to the Gibbs-Duhem equation. A significant problem is also associated with accurate prediction of the two-dimensional liquid-solid coexistence because of a small difference in densities of coexisting phases. The aim of this study is thermodynamic analysis of the two-dimensional phase coexistence in systems involving crystal-like free of defects layers in narrow slit pores. A special attention was paid to the determination of triple point temperatures. It is shown that intrinsic properties of argon monolayer adsorbed on the graphite surface are similar to those of isolated monolayer accommodated in the slit pore having width of two argon collision diameters. Analysis of the latter system is shown to be clearer and less time-consuming than the former one, which has allowed for explanation of the experimentally observed two-stage melting transition of argon monolayer on graphite without invoking the periodic surface potential modulation and orientational transition. PMID:24559359

  4. Effects of Al2O3 and CaO/SiO2 Ratio on Phase Equilbria in the ZnO-"FeO"-Al2O3-CaO-SiO2 System in Equilibrium with Metallic Iron

    NASA Astrophysics Data System (ADS)

    Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

    2011-02-01

    The phase equilibria and liquidus temperatures in the ZnO-"FeO"-Al2O3-CaO-SiO2 system in equilibrium with metallic iron have been determined experimentally in the temperature range 1383 K to 1573 K (1150 °C to 1300 °C). The experimental conditions were selected to characterize lead blast furnace and imperial smelting furnace slags. The results are presented in a form of pseudoternary sections ZnO-"FeO"-(Al2O3 + CaO + SiO2) with fixed CaO/SiO2 and (CaO + SiO2)/Al2O3 ratios. It was found that wustite and spinel are the major primary phases in the composition range investigated. Effects of Al2O3 concentration as well as the CaO/SiO2 ratio on the primary phase field, the liquidus temperature, and the partitioning of ZnO between liquid and solid phases have been discussed for zinc-containing slags.

  5. Phase Distribution Phenomena for Simulated Microgravity Conditions: Experimental Work

    NASA Technical Reports Server (NTRS)

    Singhal, Maneesh; Bonetto, Fabian J.; Lahey, R. T., Jr.

    1996-01-01

    This report summarizes the work accomplished at Rensselaer to study phase distribution phenomenon under simulated microgravity conditions. Our group at Rensselaer has been able to develop sophisticated analytical models to predict phase distribution in two-phase flows under variety of conditions. These models are based on physics and data obtained from carefully controlled experiments that are being conducted here. These experiments also serve to verify the models developed.

  6. Phase Distribution Phenomena for Simulated Microgravity Conditions: Experimental Work

    NASA Technical Reports Server (NTRS)

    Singhal, Maneesh; Bonetto, Fabian J.; Lahey, R. T., Jr.

    1996-01-01

    This report summarizes the work accomplished at Rensselaer to study phase distribution phenomenon under simulated microgravity conditions. Our group at Rensselaer has been able to develop sophisticated analytical models to predict phase distribution in two-phase flows under a variety of conditions. These models are based on physics and data obtained from carefully controlled experiments that are being conducted here. These experiments also serve to verify the models developed.

  7. Condensed-phase versus gas-phase ozonolysis of catechol: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Barnum, Timothy J.; Medeiros, Nicholas; Hinrichs, Ryan Z.

    2012-08-01

    Anthropogenic emissions of volatile aromatic compounds contribute to the formation of secondary organic aerosols (SOA), especially in urban environments. Aromatic SOA precursors typically require oxidation by hydroxyl radicals, although recent work suggests that ozonolysis of 1,2-benzenediols produces SOA in high yields. We employed attenuated total reflectance and transmission infrared spectroscopy to investigate the heterogeneous ozonolysis of catechol thin films. Formation of the dominant condensed-phase product muconic acid was highly dependent on relative humidity (RH) with few products detected below 40% RH and a maximum reactive uptake coefficient of γ = (5.6 ± 0.5) × 10-5 measured at 81.2% RH. We also performed quantum chemical calculations mapping out several reaction pathways for the homogeneous ozonolysis of gaseous catechol. 1,3-cycloaddition transition states were rate limiting with the most favorable activation energies at 45.4 and 47.1 kJ mol-1 [CCSD(T)/6-311++G(d,p)] corresponding to addition across and adjacent to the diol Cdbnd C, respectively. Gas-phase rate constants, calculated using transition state theory, were six orders of magnitude slower than experimental values. In contrast, a calculated activation energy was lower for the ozonolysis of a catechol•H2O complex, which serves as a first-approximation for modeling the ozonolysis of condensed-phase catechol. These combined results suggests that homogeneous ozonolysis of catechol may not be important for the formation of secondary organic aerosols but that ozonolysis of surface-adsorbed catechol may contribute to SOA growth.

  8. Partition Equilibrium

    NASA Astrophysics Data System (ADS)

    Feldman, Michal; Tennenholtz, Moshe

    We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.

  9. Aerothermal modeling, phase 1. Volume 2: Experimental data

    NASA Technical Reports Server (NTRS)

    Kenworthy, M. J.; Correa, S. M.; Burrus, D. L.

    1983-01-01

    The experimental test effort is discussed. The test data are presented. The compilation is divided into sets representing each of the 18 experimental configurations tested. A detailed description of each configuration, and plots of the temperature difference ratio parameter or pattern factor parameter calculated from the test data are also provided.

  10. Phase Equilibria in Ferrous Calcium Silicate Slags: Part II. Evaluation of Experimental Data and Computer Thermodynamic Models

    NASA Astrophysics Data System (ADS)

    Nikolic, Stanko; Henao, Hector; Hayes, Peter C.; Jak, Evgueni

    2008-04-01

    Ferrous calcium silicate slags (described by the FeO-Fe2O3-CaO-SiO2 system) are the basis for a number of slag systems used in nonferrous smelting. Characterization of this slag system is necessary to improve the design and optimization parameters of new processes, including fluxing and operating temperatures. Particularly of interest are the phase relations at intermediate oxygen partial pressures relevant to processes such as copper converting. Experimental data on the phase equilibria of these slags at controlled oxygen partial pressures in the temperature range between 1200 °C and 1350 °C are discussed, differences between various data sources are analyzed, and discrepancies are resolved. An evaluation of two thermodynamic computer models is undertaken to verify the computer-aided predictions using the experimental data. New experimental data for this system are reported for the temperature condition of 1300 °C, defined using the equilibration/rapid-quenching/electron probe microanalysis (EPMA) with wavelength dispersive detectors technique. This new information, combined with results from the previous study, has enabled the equilibrium liquidus compositions to be defined over a wide range of temperatures and oxygen partial pressures.

  11. Optical phase conjugation in phase-modulated transmission systems: experimental comparison of different nonlinearity-compensation methods.

    PubMed

    Minzioni, Paolo; Pusino, Vincenzo; Cristiani, Ilaria; Marazzi, Lucia; Martinelli, Mario; Langrock, Carsten; Fejer, M M; Degiorgio, Vittorio

    2010-08-16

    We experimentally compare the effectiveness of three different optical-phase-conjugation-based nonlinearity-compensation strategies on a transmission system employing phase-modulated signals, and hence affected by the Gordon-Mollenauer effect. We demonstrate that it is possible to obtain significant nonlinearity compensation, but that no improvement is obtained using configurations specifically aimed at the compensation of the nonlinear phase noise. PMID:20721200

  12. The mass dependent and independent equilibrium fractionation of stable mercury isotopes during laboratory synthesis of metacinnabar and other mercury-bearing phases

    NASA Astrophysics Data System (ADS)

    Smith, R. S.; Wiederhold, J. G.; Bourdon, B.; Kretzschmar, R.

    2010-12-01

    that precipitates created from the Hg-nitrate had a Hg:S stoichiometry greater than 1:1 suggesting the formation of mixed Hg-S-nitrate phases. In contrast, the stoichiometry of the precipitates from the Hg-acetate experiments was close to 1:1. XRD analysis of the precipitates from the Hg-acetate system confirmed that metacinnabar was formed. The similarity of the concentration and isotope results obtained from the two time steps suggests that reactant and product were in equilibrium for both Hg systems. In all experimental samples, the precipitates were isotopically lighter than the corresponding supernatants. Small negative MIF anomalies for the odd mass Hg isotopes were found in the supernatants of the Hg-acetate. The observed MDF and MIF signatures can be explained by the change from Hg-O to Hg-S coordination during precipitation and are consistent in direction and magnitude with the predictions for equilibrium isotope effects caused by a combination of MDF and nuclear volume fractionation (Wiederhold et al., ES&T, 2010, 44:4191-4197). Additional experiments will be performed to confirm these findings.

  13. Helical equilibrium

    SciTech Connect

    Yoshikawa, S.

    1981-08-01

    A straight, helical plasma equilibrium equation is solved numerically for a plasma with a helical magnetic axis. As is expected, by a suitable choice of the plasma boundary, the vacuum configuration is made line ..integral.. dl/B stable. As the plasma pressure increases, the line ..integral.. dl/B criterion will improve (again as expected). There is apparently no limit on the plasma ..beta.. from the equilibrium consideration. Thus helical-axis stellarator ..beta.. will presumably be limited by MHD stability ..beta.., and not by equilibrium ..beta...

  14. Experimental constraints on the Qitianling granite in south China: phase equilibria and petrogenetic implications

    NASA Astrophysics Data System (ADS)

    Huang, Fangfang; Scaillet, Bruno; Wang, Rucheng; Erdmann, Saskia; Chen, Yan; Faure, Michel; Liu, Hongsheng; Xie, Lei; Wang, Bo; Zhu, Jinchu

    2016-04-01

    In South China, the huge distribution of the Mesozoic metallogenic province reflects the abundant magmatism and associated mineralizations which occurred during that period. Building up the phase equilibrium diagrams of representative Mesozoic granites allows us to better understand Mesozoic magmatic events, an approach so far little applied to granites of South China. The Qitianling ganite is a representative Jurassic A-type metaluminous pluton which is associated with tin mineralization in South China. The dominant rock-types are hornblende-biotite monzonitic granites, biotite±hornblende bearing granites and fine-grained biotite-bearing granites. Three metaluminous granite samples (QTL38C, QTL14A and QTL13), of varying mafic character but all bearing hornblende, were chosen for constraining crystallization and magma generation conditions of the Qitianling composite batholith. Crystallization experiments were performed in the 100-700 MPa range, albeit mainly at 200 MPa, at an fO2 at NNO-1 or NNO +2.5, in a temperature range 700°C to 900°C. At 200 MPa, the water content in melt varies between 3 wt% and 6.5 wt% (water-saturated). Experimental results show that under H2O-saturated conditions and at NNO-1, ilmenite, magnetite and pyroxene are the liquidus phases, followed by hornblende, biotite and plagioclase. Hornblende is present only in the most mafic sample (QTL38C), below 900°C and above 5 wt% H2O. In contrast, for H2O-saturated conditions and at NNO+2.5, magnetite, pyroxene crystallize first, followed by biotite while ilmenite is rarely observed. Petrographic observations of natural samples show that magnetite and ilmenite coexist, whereas pyroxene is never observed. The Fe# value (Fe/Mg+Fe) of natural amphibole goes up to 0.69, being on average at 0.67. Experiments indicate that the crystallization of pyroxene occurs at early magmatic stages, but it breaks down to hornblende and biotite at low temperatures, explaining its absence in natural assemblages

  15. Phase equilibrium diagram of the uranium-plutonium-carbon system over the range 1200 to 2430/sup 0/C

    SciTech Connect

    Udovskii, A.L.; Alekseeva, Z.M.

    1982-01-01

    An attempt has been made to construct the phase diagram of the uranium-plutonium-carbide (U-Pc-C) system on the basis of information available in the literature. The isothermal sections for 1200; 1655; 1660; 1730; 1765; 1825; 2025; 2140; 2245; 2380 and 2435/sup 0/C from the UC, UC/sub 1/ /sub 5/, UC/sub 2/ and (U/sub 0/ /sub 5/Pu/sub 0/ /sub 5/)C-(U/sub 0/ /sub 5/Pu/sub 0/ /sub 5/)C/sub 1/ /sub 5/ sections of the phase diagram, and a scheme for the mono- and nonvariant equilibria in the U-P-C system in this temperature range have been constructed for the first time. A knowledge of the phase diagram and the thermodynamic properties of the alloys enables calculations to be made of the jumps in the properties of the alloys at the phase boundaries of the phase diagram, the heat capacity, the compressibility, the thermal expansion coefficient, the mutual diffusion coefficient of the components. The partial enthalpies and entropies of the components accompanying the 2nd-type phase transitions, as well as jumps in the heats for 1st-type phase transformations, i.e., for phase reactions. 3 figures.

  16. A Brief Survey of the Equilibrium and Transport Properties of Critical Fluids and the Degree to Which Microgravity is Required for Their Experimental Investigation

    NASA Technical Reports Server (NTRS)

    Ferrell, Richard A.

    1996-01-01

    The modern theory of second order phase transitions is very successful in calculating the critical exponents as an asymptotic expansion in powers of epsilon = 4 - D, the deviation of D = 3, the spatial dimension of the actual physical system from that of the abstract four-dimensional reference model. This remarkable mathematical 'tour de force' leaves unanswered, however, many fundamental questions concerning the exact nature of how the fluctuations interact. I discuss here some experiments which would help to further our understanding of the equilibrium critical properties. Especially promising would be a measurement of the temperature dependence of the turbidity very close to the critical point. This has the promise of determining the small and elusive but fundamentally important anomalous dimension exponent eta. I also review various ways of measuring the critical transport coefficients and point out some cases where ground based experiments may usefully supplement flight experiments.

  17. Improved methods for achieving the equilibrium number of phases in mixtures suitable for use in battery electrodes e. g. , for lithiating FeS/sub 2/

    DOEpatents

    Guidotti, R.A.

    1986-06-10

    A method is disclosed for preparing lithiated, particulate FeS/sub 2/ useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved. The method comprises admixing FeS/sub 2/ and an amount of a lithium-containing compound, whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components. Said lithium-containing compound and FeS/sub 2/ are admixed together with a solid electrolyte compatible with said catholyte, and the mixture is heated at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.

  18. Methods for achieving the equilibrium number of phases in mixtures suitable for use in battery electrodes, e.g., for lithiating FeS.sub.2

    DOEpatents

    Guidotti, Ronald A.

    1988-01-01

    In a method for preparing lithiated, particulate FeS.sub.2 useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved, comprising admixing FeS.sub.2 and an amount of a lithium-containing compound whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components, an improvement comprises admixing said lithium-containing compound and FeS.sub.2 together with a solid electrolyte compatible with said catholyte, and heating the mixture at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.

  19. Le Chatelier Principle for Out-of-Equilibrium and Boundary-Driven Systems: Application to Dynamical Phase Transitions

    NASA Astrophysics Data System (ADS)

    Shpielberg, O.; Akkermans, E.

    2016-06-01

    A stability analysis is presented for boundary-driven and out-of-equilibrium systems in the framework of the hydrodynamic macroscopic fluctuation theory. A Hamiltonian description is proposed which allows us to thermodynamically interpret the additivity principle. A necessary and sufficient condition for the validity of the additivity principle is obtained as an extension of the Le Chatelier principle. These stability conditions result from a diagonal quadratic form obtained using the cumulant generating function. This approach allows us to provide a proof for the stability of the weakly asymmetric exclusion process and to reduce the search for stability to the solution of two coupled linear ordinary differential equations instead of nonlinear partial differential equations. Additional potential applications of these results are discussed in the realm of classical and quantum systems.

  20. Le Chatelier Principle for Out-of-Equilibrium and Boundary-Driven Systems: Application to Dynamical Phase Transitions.

    PubMed

    Shpielberg, O; Akkermans, E

    2016-06-17

    A stability analysis is presented for boundary-driven and out-of-equilibrium systems in the framework of the hydrodynamic macroscopic fluctuation theory. A Hamiltonian description is proposed which allows us to thermodynamically interpret the additivity principle. A necessary and sufficient condition for the validity of the additivity principle is obtained as an extension of the Le Chatelier principle. These stability conditions result from a diagonal quadratic form obtained using the cumulant generating function. This approach allows us to provide a proof for the stability of the weakly asymmetric exclusion process and to reduce the search for stability to the solution of two coupled linear ordinary differential equations instead of nonlinear partial differential equations. Additional potential applications of these results are discussed in the realm of classical and quantum systems. PMID:27367375

  1. Experimental phase equilibria of a Mount St. Helens rhyodacite: a framework for interpreting crystallization paths in degassing silicic magmas

    NASA Astrophysics Data System (ADS)

    Riker, Jenny M.; Blundy, Jonathan D.; Rust, Alison C.; Botcharnikov, Roman E.; Humphreys, Madeleine C. S.

    2015-07-01

    We present isothermal (885 °C) phase equilibrium experiments for a rhyodacite from Mount St. Helens (USA) at variable total pressure (25-457 MPa) and fluid composition (XH2Ofl = 0.6-1.0) under relatively oxidizing conditions (NNO to NNO + 3). Run products were characterized by SEM, electron microprobe, and SIMS. Experimental phase assemblages and phase chemistry are consistent with those of natural samples from Mount St. Helens from the last 4000 years. Our results emphasize the importance of pressure and melt H2O content in controlling phase proportions and compositions, showing how significant textural and compositional variability may be generated in the absence of mixing, cooling, or even decompression. Rather, variations in the bulk volatile content of magmas, and the potential for fluid migration relative to surrounding melts, mean that magmas may take varied trajectories through pressure-fluid composition space during storage, transport, and eruption. We introduce a novel method for projecting isothermal phase equilibria into CO2-H2O space (as conventionally done for melt inclusions) and use this projection to interpret petrological data from Mount St. Helens dacites. By fitting the experimental data as empirical functions of melt water content, we show how different scenarios of isothermal magma degassing (e.g., water-saturated ascent, vapor-buffered ascent, and vapor fluxing) can have quite different textural and chemical consequences. We explore how petrological data might be used to infer degassing paths of natural magmas and conclude that melt CO2 content is a much more useful parameter in this regard than melt H2O.

  2. Experimentally determined chaotic phase synchronization in a neuronal system

    PubMed Central

    Makarenko, Vladimir; Llinás, Rodolfo

    1998-01-01

    Mathematical analysis of the subthreshold oscillatory properties of inferior olivary neurons in vitro indicates that the oscillation is nonlinear and supports low dimensional chaotic dynamics. This property leads to the generation of complex functional states that can be attained rapidly via phase coherence that conform to the category of “generalized synchronization.” Functionally, this translates into neuronal ensemble properties that can support maximum functional permissiveness and that rapidly can transform into robustly determined multicellular coherence. PMID:9861041

  3. Mid-Ocean Ridge Hydrothermal Vent Fluid Chemistry at Ultrafast Spreading Rates: Control by Phase Separation and Water-Rock Equilibrium

    NASA Astrophysics Data System (ADS)

    O'Grady, K. M.; Von Damm, K. L.

    2001-12-01

    Phase separation, overprinted by water-rock equilibration are the major controls on the chemical composition of hydrothermal vent fluids sampled from two morphologically distinct areas (18\\deg 24-26'S and 21\\deg 24-27'S) along the ultrafast spreading ( ~15 cm/yr full rate) Southern East Pacific Rise (SEPR) during the 1998 SouEPR Cruise. This conclusion, along with the growing evidence that phase separation and water-rock equilibrium also control the composition of previously sampled hydrothermal vent fluids from slower-spreading ridges, indicates that to a first approximation neither spreading rate nor ridge morphology can be directly related to hydrothermal fluid compositions. Hydrothermal fluids from ultrafast spreading centers therefore do not form a unique subset in the global range of known chemical compositions. Previous geophysical surveys and submersible observations suggested that the hydrothermal system located at 21\\deg 24-27'S, the SouEPR Area, was dominated by tectonic activity (Renard et al., 1985; Tufar, 1995; Krasnov et al., 1997). Submersible observations and hydrothermal vent fluid chemistry indicated that the N. Hump Area, experienced volcanic activity shortly before the 1993 NADUR Cruise (Charlou et al., 1996). The N. Hump Area vent fluids sampled during the 1998 SouEPR Cruise displayed a relatively uniform chlorinity (616-670 mmol/kg Cl) that is greater than seawater. The Si and Cl data from the N. Hump Area vent fluids suggest reaction zone conditions up to ~360 bars (~1 km below the seafloor) and ~430\\deg C, indicating supercritical phase separation. The unusually large chlorinity variation (113-803 mmol/kg Cl) in the SouEPR Area hydrothermal vent fluids covers almost the entire range of sampled mid-ocean ridge (MOR) hydrothermal vent fluid chemistries worldwide (30.5-1245 mmol/kg Cl). The Si and Cl data from the SouEPR Area vent fluids suggest reaction zone conditions up to ~410 bars ( ~1.3 km below the seafloor) and ~450\\deg C. The

  4. Trans-Pacific HDR Satellite Communications Experiment Phase-2: Experimental Network and Demonstration Plan

    NASA Technical Reports Server (NTRS)

    Kadowaki, Naoto; Yoshimura, Naoko; Takahashi, Takashi; Yoshikawa, Makoto; Hsu, Eddie; Bergman, Larry; Bhasin, Kul; Gary, Pat

    1998-01-01

    The trans-Pacific high data rate (TP-HDR) satellite communications experiment was proposed at the Japan-U.S. Cooperation in Space (JUCS) Program Workshop held in Hawaii in 1993 and remote high definition video post-production was demonstrated as the first phase trial. Following the first phase, the second phase experiment is currently prepared. This paper describes the experimental network configuration, application demonstration, and performance evaluation plan of the second phase experiment.

  5. EXPERIMENTAL RESULTS OF THE NEPHELINE PHASE III STUDY

    SciTech Connect

    Fox, K.; Edwards, T.

    2009-11-09

    This study is the third phase in a series of experiments designed to reduce conservatism in the model that predicts the formation of nepheline, a crystalline phase that can reduce the durability of high level waste glass. A Phase I study developed a series of glass compositions that were very durable while their nepheline discriminator values were well below the current nepheline discriminator limit of 0.62, where nepheline is predicted to crystallize upon slow cooling. A Phase II study selected glass compositions to identify any linear effects of composition on nepheline crystallization and that were restricted to regions that fell within the validation ranges of the Defense Waste Processing Facility (DWPF) Product Composition Control System (PCCS) models. However, it was not possible to identify any linear effects of composition on chemical durability performance for this set of study glasses. The results of the Phase II study alone were not sufficient to recommend modification of the current nepheline discriminator. It was recommended that the next series of experiments continue to focus not only on compositional regions where the PCCS models are considered applicable (i.e., the model validation ranges), but also be restricted to compositional regions where the only constraint limiting processing is the current nepheline discriminator. Two methods were used in selecting glasses for this Phase III nepheline study. The first was based on the relationship of the current nepheline discriminator model to the other DWPF PCCS models, and the second was based on theory of crystallization in mineral and glass melts. A series of 29 test glass compositions was selected for this study using a combination of the two approaches. The glasses were fabricated and characterized in the laboratory. After reviewing the data, the study glasses generally met the target compositions with little issue. Product Consistency Test results correlated well with the crystallization analyses in

  6. Estimation of local effective bulk (LEB) by micro-mapping; implications for equilibrium phase diagram computed for migmatites

    NASA Astrophysics Data System (ADS)

    Riel, Nicolas; Lanari, Pierre; Engi, Martin

    2014-05-01

    Metamorphic rocks often display mineral assemblages indicating local thermodynamic equilibria, even though the minerals involved grew sequentially, at different times and over a range of P-T (pressure-temperature) conditions. At thin section scale two or more mineral assemblages are commonly observed. Micro-structural or textural criteria are used to assess their stability, and forward thermodynamic models allow P-T conditions of local equilibration to be derived. The predicted P-T range of the stability fields of each assemblage and the computed proportion and composition of minerals are sensitively dependent on the bulk rock composition assumed in modeling. The XRF-measured composition of a sample may serve as a good approximation of the local bulk composition of all equilibrium assemblages. However, it is well known that this hypothesis is not valid for (1) rocks that experienced strong fluid-assisted metasomatism, (2) rocks showing a high proportion of zoned minerals, and for (3) heterogeneous rocks showing different domains with different mineral assemblages. In such cases, the concept of LEB (local effective bulk) is essential, and the question is how to determine the LEB composition. We explore the possibility to derive suitable LEB by means of standardized microprobe X-ray images, using the program XMapTools (Lanari et al. 2014). For chemically heterogeneous samples, these LEB allow us to model (using Perple_X, Connolly, 2009) the stable mineral assemblages for each domain and to obtain reliable P-T estimates. To demonstrate the utility of this approach, we investigated metapelites showing evidence of partial melting from a xenolith whithin the Marcabeli pluton, El Oro Complex, Ecuador. Migmatites are good candidates, as they usually show complex mineral patterns resulting from prograde melt producing reactions, subsequent melt migration, and retrograde reactions. For example, the separation of melt from its residuum occurring near the peak temperature may

  7. Liquid-liquid phase equilibrium and core-shell structure formation in immiscible Al-Bi-Sn alloys

    NASA Astrophysics Data System (ADS)

    Li, Mingyang; Jia, Peng; Sun, Xiaofei; Geng, Haoran; Zuo, Min; Zhao, Degang

    2016-04-01

    In this paper, the liquid-phase separation of ternary immiscible Al45Bi19.8Sn35.2 and Al60Bi14.4Sn25.6 melts was studied with resistivity and thermal analysis methods at different temperature. The resistivity-temperature curves appear abrupt and anomalously change with rising temperature, corresponding to the anomalous and low peak of melting process in DSC curves, indicative of the occurrence of the liquid-phase separation. The anomalous behavior of the resistivity temperature dependence is attributable to concentration-concentration fluctuations. The effect of composition and melt temperature on the liquid-phase separation and core-shell structure formation in immiscible Al-Bi-Sn alloys was studied. The liquid-phase separation and formation of the core-shell structure in immiscible Al-Bi-Sn alloys are readily acquired when the alloy compositions fall into liquid miscibility gap. What's more, the cross-sectional structure changes from irregular, dispersed to core-type shapes under the actions of Marangoni motion with increasing melt temperature. This study provides some clues for the preparation of core-shell microspheres of immiscible Al-Bi-Sn alloys via liquid-phase separation.

  8. Phase equilibrium of Cd1-xZnxS alloys studied by first-principles calculations and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Fu-Zhen, Zhang; Hong-Tao, Xue; Fu-Ling, Tang; Xiao-Kang, Li; Wen-Jiang, Lu; Yu-Dong, Feng

    2016-01-01

    The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo (MC) simulations were used to study the phase diagrams of both wurtzite (WZ) and zinc-blende (ZB) Cd1-xZnxS alloys. All formation energies are positive for WZ and ZB Cd1-xZnxS alloys, which means that the Cd1-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cd1-xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB Cd0.5Zn0.5S alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of Cd0.5Zn0.5S alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams. Project supported by the National Natural Science Foundation of China (Grant Nos. 11164014 and 11364025) and Gansu Science and Technology Pillar Program, China (Grant No. 1204GKCA057).

  9. Experimental Studies of Phase Equilibria of Meteorites and Planetary Bodies

    NASA Technical Reports Server (NTRS)

    Stolper, Edward M.

    2005-01-01

    The primary theme of this project was the application of experimental petrology and geochemistry to a variety of problems in meteoritics and planetary geology. The studies were designed to help develop constraints on the histories of primitive meteorites and their components, the environments in which they formed and evolved, and to understand quantitatively the processes involved in the evolution of igneous rocks on the earth and other planetary bodies. We undertook several projects relating to the origin of CAIs and chondrules. Systematics in the thermodynamic properties of CAI-like liquids were investigated and used to elucidate speciation of multi-valent cations and sulfide capacity of silicate melts and to constrain redox conditions and the vapor pressures of volatile species over molten chondrules. We experimentally determined vanadium speciation in meteoritic pyroxenes and in pyroxenes crystallized from CAI-like melts under very reducing conditions. We also found that bulk oxygen isotope compositions of chondrules in the moderately unequilibrated LL chondrites are related to the relative timing of plagioclase crystallization. We completed an experimental study on the vaporization of beta-SiC and SiO2 (glass or cristobalite) in reducing gases and established the conditions under which these presolar grains could have survived in the solar nebula. We expanded our technique for determining the thermodynamic properties of minerals and liquids to iron-bearing systems. We determined activity-composition relationships in Pt-Fe, Pt-Cr and Pt-Fe-Cr alloys. Results were used to determine the thermodynamic properties of chromite-picrochromite spinels including the free energy of formation of end-member FeCr2O4. We also established a new approach for evaluating Pt-Fe saturation experiments. We calculated the T-fO2 relationships in equilibrated ordinary chondrites and thereby constrained the conditions of metamorphism in their parent bodies.

  10. Higher-order compositional modeling of three-phase flow in 3D fractured porous media based on cross-flow equilibrium

    SciTech Connect

    Moortgat, Joachim Firoozabadi, Abbas

    2013-10-01

    Numerical simulation of multiphase compositional flow in fractured porous media, when all the species can transfer between the phases, is a real challenge. Despite the broad applications in hydrocarbon reservoir engineering and hydrology, a compositional numerical simulator for three-phase flow in fractured media has not appeared in the literature, to the best of our knowledge. In this work, we present a three-phase fully compositional simulator for fractured media, based on higher-order finite element methods. To achieve computational efficiency, we invoke the cross-flow equilibrium (CFE) concept between discrete fractures and a small neighborhood in the matrix blocks. We adopt the mixed hybrid finite element (MHFE) method to approximate convective Darcy fluxes and the pressure equation. This approach is the most natural choice for flow in fractured media. The mass balance equations are discretized by the discontinuous Galerkin (DG) method, which is perhaps the most efficient approach to capture physical discontinuities in phase properties at the matrix-fracture interfaces and at phase boundaries. In this work, we account for gravity and Fickian diffusion. The modeling of capillary effects is discussed in a separate paper. We present the mathematical framework, using the implicit-pressure-explicit-composition (IMPEC) scheme, which facilitates rigorous thermodynamic stability analyses and the computation of phase behavior effects to account for transfer of species between the phases. A deceptively simple CFL condition is implemented to improve numerical stability and accuracy. We provide six numerical examples at both small and larger scales and in two and three dimensions, to demonstrate powerful features of the formulation.

  11. First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

    NASA Astrophysics Data System (ADS)

    Ravi, C.; Panigrahi, B. K.; Valsakumar, M. C.; van de Walle, Axel

    2012-02-01

    In this paper, we report the calculated phase diagrams of V-Nb, V-Ta, and Nb-Ta alloys computed by combining the total energies of 40-50 configurations for each system (obtained using density functional theory) with the cluster expansion and Monte Carlo techniques. For V-Nb alloys, the phase diagram computed with conventional cluster expansion shows a miscibility gap with consolute temperature Tc=1250 K. Including the constituent strain to the cluster expansion Hamiltonian does not alter the consolute temperature significantly, although it appears to influence the solubility of V- and Nb-rich alloys. The phonon contribution to the free energy lowers Tc to 950 K (about 25%). Our calculations thus predicts an appreciable miscibility gap for V-Nb alloys. For bcc V-Ta alloy, this calculation predicts a miscibility gap with Tc=1100 K. For this alloy, both the constituent strain and phonon contributions are found to be significant. The constituent strain increases the miscibility gap while the phonon entropy counteracts the effect of the constituent strain. In V-Ta alloys, an ordering transition occurs at 1583 K from bcc solid solution phase to the V2Ta Laves phase due to the dominant chemical interaction associated with the relatively large electronegativity difference. Since the current cluster expansion ignores the V2Ta phase, the associated chemical interaction appears to manifest in making the solid solution phase remain stable down to 1100 K. For the size-matched Nb-Ta alloys, our calculation predicts complete miscibility in agreement with experiment.

  12. Experimental evidence of the theoretical spatial frequency response of cubic phase mask wavefront coding imaging systems.

    PubMed

    Somayaji, Manjunath; Bhakta, Vikrant R; Christensen, Marc P

    2012-01-16

    The optical transfer function of a cubic phase mask wavefront coding imaging system is experimentally measured across the entire range of defocus values encompassing the system's functional limits. The results are compared against mathematical expressions describing the spatial frequency response of these computational imagers. Experimental data shows that the observed modulation and phase transfer functions, available spatial frequency bandwidth and design range of this imaging system strongly agree with previously published mathematical analyses. An imaging system characterization application is also presented wherein it is shown that the phase transfer function is more robust than the modulation transfer function in estimating the strength of the cubic phase mask. PMID:22274533

  13. Recent advances in the CRANK software suite for experimental phasing

    PubMed Central

    Pannu, Navraj S.; Waterreus, Willem-Jan; Skubák, Pavol; Sikharulidze, Irakli; Abrahams, Jan Pieter; de Graaff, Rudolf A. G.

    2011-01-01

    For its first release in 2004, CRANK was shown to effectively detect and phase anomalous scatterers from single-wavelength anomalous diffraction data. Since then, CRANK has been significantly improved and many more structures can be built automatically with single- or multiple-wavelength anomalous diffraction or single isomorphous replacement with anomalous scattering data. Here, the new algorithms that have been developed that have led to these substantial improvements are discussed and CRANK’s performance on over 100 real data sets is shown. The latest version of CRANK is freely available for download at http://www.bfsc.leidenuniv.nl/software/crank/ and from CCP4 (http://www.ccp4.ac.uk/). PMID:21460451

  14. [Echocardiography in superacute phase of myocardial infarction: an experimental study].

    PubMed

    Komasa, N; Tanimoto, M; Kimura, S; Yasutomi, N; Saito, Y; Yamamoto, T; Ikeoka, K; Makihata, S; Kawai, Y; Iwasaki, T

    1982-12-01

    The significance and usefulness of two-dimensional echocardiography (2DE) in the evaluation of superacute phase of myocardial infarction were studied in 13 dogs with coronary occlusion, and 2DE findings were compared with the hemodynamic indices. Myocardial infarction was produced by the occlusion of anterior descending branch of the left coronary artery in 13 anesthetized adult mongrel dogs. In 6 dogs, the end-diastolic area and percent fractional shortening (%FS) in each short-axis view of the left ventricle at the level of the mitral valve, chordae tendineae, papillary muscles, low papillary muscles and apex were measured during 60 minutes, and end-diastolic wall thickness of infarct area situated in the transitional zone between the septum and the anterior wall were compared with that of non-infarct area immediately and subsequent 60 minutes after occlusion. Positive dP/dt/P, time constant T and cardiac output were measured simultaneously with an echocardiographic study. Severe enlargement and expansion of the left ventricular cavity (ballooning) and a decrease of %FS and thinning of the left ventricular wall perfused by the occluded artery occurred immediately after occlusion and persisted during subsequent 60 minutes. Time constant T was significantly prolonged, while positive dP/dt/P and cardiac output were decreased immediately and continued up to 60 minutes after occlusion. 2DE findings corresponded well with the changes of cardiac function and hemodynamics determined simultaneously. We concluded that the detection of the left ventricular ballooning is important in the diagnosis of superacute phase of myocardial infarction in dogs. PMID:7186011

  15. Phase equilibrium and structural properties in the Ca-Al-Si-O system up to the P,T conditions of the Earth's lowermost transition zone.

    NASA Astrophysics Data System (ADS)

    Gréaux, S.; Nishiyama, N.; Kono, Y.; Shinmei, T.; Irifune, T.

    2008-12-01

    Ca- and Al-bearing silicates have been extensively investigated for their importance into the mantle processes. In the transition zone, majorite garnet and Ca-perovskite are reported to be the major hosts of Ca as well as deposits of Al [1]. At higher P, Ca gets completely exsolved from the majorite to the Ca-pv. It is observed that Al plays a significant role in the Ca-Si-O system by inducing new phase equilibriums [2,3,4], and influencing the physical properties of the Ca-pv [5]. It is then suggested that phase transitions and chemical reactions involving Ca- and Al-bearing silicates could conciliate mineralogical results and seismological observations in the region of the transition zone [3,6]. We studied the phase equilibrium at HP-HT in the grossular and anorthite systems using a Kawai-type multi- anvil apparatus up to 25 GPa and 2000 K. Grossular garnet is reported to decompose into a mix of corundum and Ca-pv [3] or to transform into a perovskite of grossular composition [7]. Our study shows that grossular mainly decomposes into a mix of Al-Ca-pv and CAS phase in the same P range and higher T. Anorthite is also found to mainly decompose into a mix of Al-Ca-pv and CAS phase. Despite some Al-content in the Ca-pv, the CAS phase is the major host of Al, which suggests according to previous studies [3,5], a lower solubility of Al into the perovskite structure at high T. The Al-content of the Ca-pv as well as the presence of another Al-rich Ca-bearing silicate in zone of variable temperatures and composition as subducting slabs are discussed for their possible implication into the transition zone processes. [1] T. Irifune, 1994. Nature 370, 131-133 [2] L. Gautron et al., 1996. Phys. Earth Planet. Int. 94, 71-81 [3] N. Takafuji et al., 2002. Phys. Chem. Mineral 29, 532-537 [4] S. Zhai and E. Ito, 2008. Phys. Earth Planet. Int. In press [5] T. Kurashina et al., 2004. Phys. Earth Planet. Int. 145, 67-7 [6] L. Stixrude et al., 1996. Am. Mineral. 81, 1293-1296 [7] H

  16. Metastable and equilibrium phase diagrams of unconjugated bilirubin IXα as functions of pH in model bile systems: Implications for pigment gallstone formation

    PubMed Central

    Berman, Marvin D.

    2014-01-01

    Metastable and equilibrium phase diagrams for unconjugated bilirubin IXα (UCB) in bile are yet to be determined for understanding the physical chemistry of pigment gallstone formation. Also, UCB is a molecule of considerable biomedical importance because it is a potent antioxidant and an inhibitor of atherogenesis. We employed principally a titrimetric approach to obtain metastable and equilibrium UCB solubilities in model bile systems composed of taurine-conjugated bile salts, egg yolk lecithin (mixed long-chain phosphatidylcholines), and cholesterol as functions of total lipid concentration, biliary pH values, and CaCl2 plus NaCl concentrations. Metastable and equilibrium precipitation pH values were obtained, and average pKa values of the two carboxyl groups of UCB were calculated. Added lecithin and increased temperature decreased UCB solubility markedly, whereas increases in bile salt concentrations and molar levels of urea augmented solubility. A wide range of NaCl and cholesterol concentrations resulted in no specific effects, whereas added CaCl2 produced large decreases in UCB solubilities at alkaline pH values only. UV-visible absorption spectra were consistent with both hydrophobic and hydrophilic interactions between UCB and bile salts that were strongly influenced by pH. Reliable literature values for UCB compositions of native gallbladder biles revealed that biles from hemolytic mice and humans with black pigment gallstones are markedly supersaturated with UCB and exhibit more acidic pH values, whereas biles from nonstone control animals and patients with cholesterol gallstone are unsaturated with UCB. PMID:25359538

  17. Metastable and equilibrium phase diagrams of unconjugated bilirubin IXα as functions of pH in model bile systems: Implications for pigment gallstone formation.

    PubMed

    Berman, Marvin D; Carey, Martin C

    2015-01-01

    Metastable and equilibrium phase diagrams for unconjugated bilirubin IXα (UCB) in bile are yet to be determined for understanding the physical chemistry of pigment gallstone formation. Also, UCB is a molecule of considerable biomedical importance because it is a potent antioxidant and an inhibitor of atherogenesis. We employed principally a titrimetric approach to obtain metastable and equilibrium UCB solubilities in model bile systems composed of taurine-conjugated bile salts, egg yolk lecithin (mixed long-chain phosphatidylcholines), and cholesterol as functions of total lipid concentration, biliary pH values, and CaCl2 plus NaCl concentrations. Metastable and equilibrium precipitation pH values were obtained, and average pKa values of the two carboxyl groups of UCB were calculated. Added lecithin and increased temperature decreased UCB solubility markedly, whereas increases in bile salt concentrations and molar levels of urea augmented solubility. A wide range of NaCl and cholesterol concentrations resulted in no specific effects, whereas added CaCl2 produced large decreases in UCB solubilities at alkaline pH values only. UV-visible absorption spectra were consistent with both hydrophobic and hydrophilic interactions between UCB and bile salts that were strongly influenced by pH. Reliable literature values for UCB compositions of native gallbladder biles revealed that biles from hemolytic mice and humans with black pigment gallstones are markedly supersaturated with UCB and exhibit more acidic pH values, whereas biles from nonstone control animals and patients with cholesterol gallstone are unsaturated with UCB. PMID:25359538

  18. Theoretical and experimental evidence for the post-cotunnite phase transition in zirconia at high pressure

    NASA Astrophysics Data System (ADS)

    Nishio-Hamane, Daisuke; Dekura, Haruhiko; Seto, Yusuke; Yagi, Takehiko

    2015-05-01

    A post-cotunnite phase transition in zirconia (ZrO2) at high pressure was investigated by synchrotron X-ray diffraction measurements and ab initio calculations based on density functional theory. This study successfully demonstrated a cotunnite- to Fe2P-type phase transition. Static enthalpy difference (Δ H) calculations predicted the appearance of the Fe2P phase at 124 GPa (LDA) and 143 GPa (GGA), and experimental trials demonstrated the coexistence of the Fe2P and cotunnite phases at 175 GPa after heating to 3,000 K. Both phases were quenchable to ambient conditions. The volume of the Fe2P phase was slightly less (~Δ 0.6 %) than that of the cotunnite phase over the experimental pressure range, indicating that the Fe2P phase is the higher pressure phase. The coexistence of both phases in this study may be attributed to the slow kinetics of the phase transition resulting from the close structural relationship of the two phases. An Fe2P-type structural model can be derived by applying a simple operation to the cotunnite-type structure, consisting of a 1/2 shift of several zirconium arrangements parallel to the b-axis of the cotunnite-type unit cell. It is concluded that the high-pressure cotunnite-to-Fe2P phase transition may be a common trend in many dioxides.

  19. Reflection of processes of non-equilibrium two-phase filtration in oil-saturated hierarchical medium in data of active wave geophysical monitoring

    NASA Astrophysics Data System (ADS)

    Hachay, Olga; Khachay, Andrey; Khachay, Oleg

    2016-04-01

    The processes of oil extraction from deposit are linked with the movement of multi-phase multi-component media, which are characterized by non-equilibrium and non-linear rheological features. The real behavior of layered systems is defined by the complexity of the rheology of moving fluids and the morphology structure of the porous medium, and also by the great variety of interactions between the fluid and the porous medium [Hasanov and Bulgakova, 2003]. It is necessary to take into account these features in order to informatively describe the filtration processes due to the non-linearity, non-equilibrium and heterogeneity that are features of real systems. In this way, new synergetic events can be revealed (namely, a loss of stability when oscillations occur, and the formation of ordered structures). This allows us to suggest new methods for the control and management of complicated natural systems that are constructed on account of these phenomena. Thus the layered system, from which it is necessary to extract the oil, is a complicated dynamical hierarchical system. A comparison is provided of non-equilibrium effects of the influence of independent hydrodynamic and electromagnetic induction on an oil layer and the medium which it surrounds. It is known that by drainage and steeping the hysteresis effect on curves of the relative phase permeability in dependence on the porous medium's water saturation in some cycles of influence (drainage-steep-drainage) is observed. Using the earlier developed 3D method of induction electromagnetic frequency geometric monitoring, we showed the possibility of defining the physical and structural features of a hierarchical oil layer structure and estimating the water saturation from crack inclusions. This effect allows managing the process of drainage and steeping the oil out of the layer by water displacement. An algorithm was constructed for 2D modeling of sound diffraction on a porous fluid-saturated intrusion of a hierarchical

  20. Application of the Double-Tangent Construction of Coexisting Phases to Any Type of Phase Equilibrium for Binary Systems Modeled with the Gamma-Phi Approach

    ERIC Educational Resources Information Center

    Jaubert, Jean-Noël; Privat, Romain

    2014-01-01

    The double-tangent construction of coexisting phases is an elegant approach to visualize all the multiphase binary systems that satisfy the equality of chemical potentials and to select the stable state. In this paper, we show how to perform the double-tangent construction of coexisting phases for binary systems modeled with the gamma-phi…

  1. Phase-equilibrium geobarometers for silicic rocks based on rhyolite-MELTS. Part 2: application to Taupo Volcanic Zone rhyolites

    NASA Astrophysics Data System (ADS)

    Bégué, Florence; Gualda, Guilherme A. R.; Ghiorso, Mark S.; Pamukcu, Ayla S.; Kennedy, Ben M.; Gravley, Darren M.; Deering, Chad D.; Chambefort, Isabelle

    2014-11-01

    Constraining the pressure of crystallisation of large silicic magma bodies gives important insight into the depth and vertical extent of magmatic plumbing systems; however, it is notably difficult to constrain pressure at the level of detail necessary to understand shallow magmatic systems. In this study, we use the recently developed rhyolite-MELTS geobarometer to constrain the crystallisation pressures of rhyolites from the Taupo Volcanic Zone (TVZ). As sanidine is absent from the studied deposits, we calculate the pressures at which quartz and feldspar are found to be in equilibrium with melt now preserved as glass (the quartz +1 feldspar constraint of Gualda and Ghiorso, Contrib Mineral Petrol 168:1033. doi:10.1007/s00410-014-1033-3. 2014). We use glass compositions (matrix glass and melt inclusions) from seven eruptive deposits dated between ~320 and 0.7 ka from four distinct calderas in the central TVZ, and we discuss advantages and limitations of the rhyolite-MELTS geobarometer in comparison with other geobarometers applied to the same eruptive deposits. Overall, there is good agreement with other pressure estimates from the literature (amphibole geobarometry and H2O-CO2 solubility models). One of the main advantages of this new geobarometer is that it can be applied to both matrix glass and melt inclusions—regardless of volatile saturation. The examples presented also emphasise the utility of this method to filter out spurious glass compositions. Pressure estimates obtained with the new rhyolite-MELTS geobarometer range between ~250 to ~50 MPa, with a large majority at ~100 MPa. These results confirm that the TVZ hosts some of the shallowest rhyolitic magma bodies on the planet, resulting from the extensional tectonic regime and thinning of the crust. Distinct populations with different equilibration pressures are also recognised, which is consistent with the idea that multiple batches of eruptible magma can be present in the crust at the same time and

  2. An experimental and theoretical evaluation of increased thermal diffusivity phase change devices

    NASA Technical Reports Server (NTRS)

    White, S. P.; Golden, J. O.; Stermole, F. J.

    1972-01-01

    This study was to experimentally evaluate and mathematically model the performance of phase change thermal control devices containing high thermal conductivity metal matrices. Three aluminum honeycomb filters were evaluated at five different heat flux levels using n-oct-adecane as the test material. The system was mathematically modeled by approximating the partial differential equations with a three-dimensional implicit alternating direction technique. The mathematical model predicts the system quite well. All of the phase change times are predicted. The heating of solid phase is predicted exactly while there is some variation between theoretical and experimental results in the liquid phase. This variation in the liquid phase could be accounted for by the fact that there are some heat losses in the cell and there could be some convection in the experimental system.

  3. Batch sorption dynamics, kinetics and equilibrium studies of Cr(VI), Ni(II) and Cu(II) from aqueous phase using agricultural residues

    NASA Astrophysics Data System (ADS)

    Kaur, Rajvinder; Singh, Joginder; Khare, Rajshree; Cameotra, Swaranjit Singh; Ali, Amjad

    2013-03-01

    In the present study, the agricultural residues viz., Syzygium cumini and Populus deltoides leaves powder have been used for the biosorption of Cu(II), Ni(II), and Cr(VI) from aqueous solutions. FTIR and SEM analysis of the biosorbents were performed to explore the type of functional groups available for metal binding and to study the surface morphology. Various physico-chemical parameters such as pH, adsorbent dosage, initial metal ion concentration, and equilibrium contact time were studied. Thermodynamic studies were carried out and the results demonstrated the spontaneous and endothermic nature of the biosorption process. The equilibrium data were tested using four isotherm models—Langmuir, Freundlich, Temkin and Dubinin-Radushkevich and the maximum biosorption capacities were evaluated. The Pseudo-first-order, pseudo-second-order, Elovich and intraparticle diffusion models were applied to study the reaction kinetics with pseudo-second order model giving the best fit ( R 2 = 0.99) to the experimental data.

  4. Electrohydraulic forming of dual phase steels; numerical and experimental work

    NASA Astrophysics Data System (ADS)

    Hassannejadasl, Amir; Green, Daniel E.; Golovashchenko, Sergey F.

    2013-12-01

    Electrohydraulic Forming (EHF) is a high velocity forming process, in which the strain-rate in the sheet metal can reach very high values depending on the prescribed input energy, the chamber geometry, the die geometry, instrumentation efficiency and the mechanical properties of the sheet material. In EHF, a high voltage discharge between electrodes that are submerged in a water-filled chamber generates a plasma channel that leads to propagation of a shockwave through the water that forms the sheet, with or without a die, in less than a millisecond. EHF generates a complex pressure pulse history that is extremely challenging to simulate. In this work, three-dimensional finite element simulations of DP590 sheet were completed in free-forming (EHFF) and die-forming (EHDF) conditions using ABAQUS/Explicit and a combination of Eulerian and Lagrangian elements. The Johnson-Cook constitutive plasticity model was selected and the parameters were calibrated based on uniaxial tensile test data at different strain-rates. A comprehensive numerical study was carried out with a view to understanding the differences between EHFF and EHDF in terms of the history of the deformation profile of the specimen, the strain-rate history, the loading path and through-thickness stresses. Higher strain-rates and more complex strain-paths were predicted in EHDF compared to EHFF due to dynamic sheet/die interaction. Good correlation between the experimental and numerical results demonstrated the ability of numerical models to accurately predict the history of the deformation profile in both EHDF and EHFF conditions.

  5. Multiple solid-phase microextraction in a non-equilibrium situation. Application in quantitative analysis of chlorophenols and chloroanisoles related to cork taint in wine.

    PubMed

    Martínez-Uruñuela, Almudena; González-Sáiz, José Maria; Pizarro, Consuelo

    2005-09-30

    Multiple HS-solid-phase microextraction (MHS-SPME) is a modification of SPME developed for quantitative analysis that avoids possible matrix effects based on an exhaustive analyte extraction from the sample. In this paper, the theory of this process associated with a non-equilibrium situation has been presented. The application of an optimised HS-SPME-based method in the analysis of chloroanisoles and chlorophenols, previously acetylated, associated with the occurrence of cork taint in different red, white and rosé wine samples, has revealed the existence of matrix effects. This fact determines the choice of standard addition as the adequate technique for the quantification of these compounds in real samples. MHS-SPME is proposed as a good alternative technique with respect to HS-SPME because it avoids matrix effects, simplifies the quantification of these compounds in real samples and reduces analysis time, providing sensitivity below chloroanisole sensory threshold with acceptable precision. PMID:16130768

  6. Experimental generation of Hermite-Gauss and Ince-Gauss beams through kinoform phase holograms

    NASA Astrophysics Data System (ADS)

    Mellado-Villaseñor, Gabriel; Aguirre-Olivas, Dilia; Sánchez-de-la-Llave, David; Arrizón, Victor

    2015-08-01

    We generate Hermite-Gauss and Ince-Gauss beams by using kinoform phase holograms encoded onto a liquid crystal display. The phase transmittance of this holograms coincide with the phases of such beams. Scale versions of the desired beams appear at the Fourier domain of the KPHs. When an appropriated pupil size is employed, the method synthesizes HG and IG beams with relatively high accuracy and high efficiency. It is noted that experimental and numerical results are agreement with the theory.

  7. Method optimization for non-equilibrium solid phase microextraction sampling of HAPs for GC/MS analysis

    NASA Astrophysics Data System (ADS)

    Zawadowicz, M. A.; Del Negro, L. A.

    2010-12-01

    Hazardous air pollutants (HAPs) are usually present in the atmosphere at pptv-level, requiring measurements with high sensitivity and minimal contamination. Commonly used evacuated canister methods require an overhead in space, money and time that often is prohibitive to primarily-undergraduate institutions. This study optimized an analytical method based on solid-phase microextraction (SPME) of ambient gaseous matrix, which is a cost-effective technique of selective VOC extraction, accessible to an unskilled undergraduate. Several approaches to SPME extraction and sample analysis were characterized and several extraction parameters optimized. Extraction time, temperature and laminar air flow velocity around the fiber were optimized to give highest signal and efficiency. Direct, dynamic extraction of benzene from a moving air stream produced better precision (±10%) than sampling of stagnant air collected in a polymeric bag (±24%). Using a low-polarity chromatographic column in place of a standard (5%-Phenyl)-methylpolysiloxane phase decreased the benzene detection limit from 2 ppbv to 100 pptv. The developed method is simple and fast, requiring 15-20 minutes per extraction and analysis. It will be field-validated and used as a field laboratory component of various undergraduate Chemistry and Environmental Studies courses.

  8. Effect of dechlorinating bacteria on the longevity and composition of PCE-containing nonaqueous phase liquids under equilibrium dissolution conditions

    SciTech Connect

    Carr, C.S.; Garg, S.; Hughes, J.B.

    2000-03-15

    The influence of dechlorinating microorganisms on PCE and its reduced end products in the presence of a PCE-containing nonaqueous phase liquid (NAPL) was investigated. Experiments were conducted in continuous-flow stirred-tank reactors (CFSTRs) containing a mixed PCE dechlorinating culture and a model NAPL consisting of PCE and tridecane. Comparisons between biotic and abiotic CFSTRs demonstrated that dechlorination resulted in a factor of 14 increase in PCE removal rates from the NAPL. The formation of dechlorination daughter products trichloroethene and cis-dichloroethene were observed, and cis-dichloroethene was not dechlorinated further. Partitioning of daughter products between phases caused temporal changes in the chlorinated ethenes distribution within the NAPL. The combined effects of dissolution and dechlorination on the removal of chlorinated ethenes from the NAPL were described using a mathematical model that approximated dechlorination as a pseudo-first-order process. Pseudo-first-order dechlorination rate coefficients for PCE and TCE were determined and were 0.18 and 0.27 h{sup {minus}1}, respectively. It was determined that total chlorinated ethenes removal from the NAPL would be achieved in 13 days in biotic CFSTRs, as compared to 77 days in the abiotic CFSTRs--corresponding to an 83% reduction in longevity of the chlorinated ethenes component of the NAPL.

  9. Experimental evidence for an absorbing phase transition underlying yielding of a soft glass

    NASA Astrophysics Data System (ADS)

    Nagamanasa, K. Hima; Gokhale, Shreyas; Sood, A. K.; Ganapathy, Rajesh

    2014-03-01

    A characteristic feature of solids ranging from foams to atomic crystals is the existence of a yield point, which marks the threshold stress beyond which a material undergoes plastic deformation. In hard materials, it is well-known that local yield events occur collectively in the form of intermittent avalanches. The avalanche size distributions exhibit power-law scaling indicating the presence of self-organized criticality. These observations led to predictions of a non-equilibrium phase transition at the yield point. By contrast, for soft solids like gels and dense suspensions, no such predictions exist. In the present work, by combining particle scale imaging with bulk rheology, we provide a direct evidence for a non-equilibrium phase transition governing yielding of an archetypal soft solid - a colloidal glass. The order parameter and the relaxation time exponents revealed that yielding is an absorbing phase transition that belongs to the conserved directed percolation universality class. We also identified a growing length scale associated with clusters of particles with high Debye-Waller factor. Our findings highlight the importance of correlations between local yield events and may well stimulate the development of a unified description of yielding of soft solids.

  10. Experimental study on exciting force by two-phase cross flow

    SciTech Connect

    Nakamura, T.; Fujita, K.; Shiraki, K.; Kanazawa, H.; Sakata, K.

    1982-01-01

    Buffeting forces acting on tube arrays and induced by air-water two-phase cross flow, in the range of bubble flow and slug flow (or froth flow), are experimentally examined. Experimental results are treated by statistical modal analysis for use in design calculation. Based on these results, a hypothesis, especially applicable in the region of slug flow, is proposed to explain the experimental results. 9 refs.

  11. Experimental Study of the Irrational Phase Synchronization of Coupled Nonidentical Mechanical Metronomes

    PubMed Central

    Song, Zhiwen; Wu, Ye; Liu, Weiqing; Xiao, Jinghua

    2015-01-01

    It has recently been observed in numerical simulations that the phases of two coupled nonlinear oscillators can become locked into an irrational ratio, exhibiting the phenomenon of irrational phase synchronization (IPS) [Phys. Rev. E 69, 056228 (2004)]. Here, using two coupled nonidentical periodic mechanical metronomes, we revisit this interesting phenomenon through experimental studies. It is demonstrated that under suitable couplings, the phases of the metronomes indeed can become locked into irrational ratios. Numerical simulations confirm the experimental observations and also reveal that in the IPS state, the system dynamics are chaotic. Our studies provide a solid step toward further studies of IPS. PMID:25786222

  12. Experimental investigation of the phase equilibria in the carbon dioxide-propane-3 M MDEA system

    SciTech Connect

    Jou, F.Y.; Mather, A.E.; Otto, F.D.; Carroll, J.J.

    1995-07-01

    The treating of liquefied petroleum gas (LPG) to remove carbon dioxide and hydrogen sulfide using aqueous alkanolamine solutions is an important aspect of gas processing. One of the amines used in the natural gas industry is methyldiethanolamine (MDEA). Measurements of the phase equilibria in the carbon dioxide-propane-3 M MDEA system have been made at 25 and 40 C at pressures up to 15.5 MPa. Vapor-liquid, liquid-liquid, and vapor-liquid-liquid equilibria were determined. The vapor-liquid equilibrium data were compared with the model of Deshmukh and Mather.

  13. Rapid-Equilibrium Enzyme Kinetics

    ERIC Educational Resources Information Center

    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…

  14. Trans-Pacific HDR Satellite Communications Experiment Phase-2 Project Plan and Experimental Network

    NASA Technical Reports Server (NTRS)

    Hsu, Eddie; Kadowaki, Naoto; Yoshimura, Naoko; Takahashi, Takashi; Yoshikawa, Makoto; Bergman, Larry; Bhasin, Kul

    2000-01-01

    The trans-Pacific high data rate (TP-HDR) satellite communications experiment was proposed at the Japan-U.S. Cooperation in Space (JUCS) Program Workshop held in Hawaii in 1993 and remote high definition video post-production was demonstrated as the first phase trial. ATM-based 45 Mbps trans-Pacific link was established in the first phase, and the following experiments with 155 Mbps was planned as the phase 2. This paper describes the experimental network configuration and project plan of TP-HDR experiment phase 2. Additional information is provided in the original.

  15. Effect of Non-local Thermodynamic Equilibrium Model Atmospheres on Photometric Amplitudes and Phases of Early B-type Pulsating Stars

    NASA Astrophysics Data System (ADS)

    Daszyńska-Daszkiewicz, J.; Szewczuk, W.

    2011-02-01

    Amplitudes and phases of the light variation of a pulsating star in various photometric passbands contain information about the geometry of observed modes. Because oscillation spectra of early B-type main-sequence stars do not exhibit regular patterns, these observables are very often the only ones from which mode identification can be derived. Moreover, these data can yield valuable constraints on mean stellar parameters, subphotospheric convection, microphysics, and atmospheres. We study all possible sources of inaccuracy in theoretical values of the photometric observables, i.e., amplitude ratios and phase differences, of early B-type main-sequence pulsators. Here, we discuss the effects of parameters coming from both model atmospheres and linear nonadiabatic theory of stellar pulsation. In particular, we evaluate for the first time the effect of the departure from the local thermodynamic equilibrium (LTE) approximation. To this end, for non-LTE model atmospheres, we compute tables with the passband fluxes, flux derivatives over effective temperature and gravity, as well as the nonlinear limb-darkening coefficients in 12 passbands most often used. We make these tables publicly available at the Wrocław HELAS Web site.

  16. The dependence of equilibrium film thickness on grain orientation at interphase boundaries in ceramic-ceramic composites

    PubMed

    Knowles; Turan

    2000-06-01

    High-resolution transmission electron microscope observations of hexagonal boron nitride - 3C silicon carbide interphase boundaries suggest that where one or more phases is highly anisotropic, an orientation dependence on equilibrium film thickness can arise. Theoretical considerations of this phenomenon in terms of the equilibrium thickness of an amorphous film between two crystalline media are consistent with the trend seen experimentally. PMID:10841337

  17. Adsorptive potential of cationic Basic Yellow 2 (BY2) dye onto natural untreated clay (NUC) from aqueous phase: Mass transfer analysis, kinetic and equilibrium profile

    NASA Astrophysics Data System (ADS)

    Öztürk, A.; Malkoc, E.

    2014-04-01

    In this work, natural untreated clay (NUC) was studied for the removal of Basic Yellow 2 (BY2) from aqueous solution in batch system. The effects of initial BY2 concentration, contact time, solution temperature and solution pH on BY2 adsorption were investigated. Nitrogen sorption measurements were employed to investigate the variation in surface and pore properties after dye adsorption. The adsorbent was characterized by means of FTIR, PSD, TEM, XRD and BET analysis. The equilibrium adsorption data were analyzed by Langmuir, Freundlich, Temkin and Scatchard isotherm models. The maximum monolayer adsorption capacity was found to be 833.33 mg/g at 25 °C (at room temperature). The pseudo-second-order kinetic model provided the best fit to the experimental datas compared with pseudo-first-order kinetic adsorption models. To explain mass transfer mechanism of BY2 adsorption, obtained experimental datas were applied Weber and Morris model, Body and Frusawa and Smith models. The results show that the adsorption process is controlled by film diffusion. The thermodynamic parameters such as, Gibbs free energy changes (ΔG°), standard enthalpy change (ΔH°) and standard entropy change (ΔS°) were determined. Adsorption of BY2 on NUC is exothermic and spontaneous in nature. The calculated activation energy of adsorption was found to be 5.24 kJ/mol for BY2. This value indicates that the adsorption process is a physisorption.

  18. Timing and conditions of high-pressure metamorphism in the western Grenville Province: Constraints from accessory mineral composition and phase equilibrium modeling

    NASA Astrophysics Data System (ADS)

    Marsh, Jeffrey H.; Culshaw, Nicholas G.

    2014-07-01

    Previous geochronological analyses of high pressure (HP) metamorphic rocks in the western Grenville Province, Ontario, Canada have yielded precise U-Pb zircon ages; however, uncertainty has remained as to whether these ages represent the timing of HP metamorphism or the granulite/amphibolite facies overprint accompanying exhumation to a hot middle orogenic crust. Detailed study of these HP rocks, involving garnet, rutile, and zircon trace element analysis, phase equilibrium modeling, and zircon U-Pb geochronology, has yielded much improved constraints on the timing and conditions of HP metamorphism. Zircon from five of the six HP samples yield anchored discordia upper intercept and 207Pb/206Pb weighted average ages between 1097 and 1085 Ma, and typically have trace element compositions consistent with growth in a garnet-rich, plagioclase-poor eclogite-type assemblage (i.e. no negative Eu anomaly and flat HREE trends). Titanium-in-zircon and Zr-in-rutile thermometry indicates that the range of zircon crystallization temperatures for most samples (643-767 °C) is close to that of rutile inclusions in garnet (668-753 °C) and matrix rutile (690-772 °C). Phase relations in a pseudosection calculated for the sample that best preserves the HP assemblage indicate that: (1) the stability field for the inclusions observed in garnet and kyanite is between 11.5 < P < 14 kbar and 600 < T < 700 °C, and (2) zircon and rutile crystallization temperatures intersect the inferred HP assemblage field (Grt + Cpx + Ky + Rt + Hbl + Qtz) and garnet and kyanite modal isopleths at P > ~ 15 kbar, indicating that the ca. 1090 Ma zircon ages date metamorphism at eclogite facies conditions. Thus, the deep burial of mafic lower crust that resulted in HP metamorphism in the western CGB occurred just prior to the main "Ottawan" phase of continental collision in the western Grenville Province (ca. 1080-1040 Ma).

  19. Topological Quantum Phase Transition in Synthetic Non-Abelian Gauge Potential: Gauge Invariance and Experimental Detections

    PubMed Central

    Sun, Fadi; Yu, Xiao-Lu; Ye, Jinwu; Fan, Heng; Liu, Wu-Ming

    2013-01-01

    The method of synthetic gauge potentials opens up a new avenue for our understanding and discovering novel quantum states of matter. We investigate the topological quantum phase transition of Fermi gases trapped in a honeycomb lattice in the presence of a synthetic non-Abelian gauge potential. We develop a systematic fermionic effective field theory to describe a topological quantum phase transition tuned by the non-Abelian gauge potential and explore its various important experimental consequences. Numerical calculations on lattice scales are performed to compare with the results achieved by the fermionic effective field theory. Several possible experimental detection methods of topological quantum phase transition are proposed. In contrast to condensed matter experiments where only gauge invariant quantities can be measured, both gauge invariant and non-gauge invariant quantities can be measured by experimentally generating various non-Abelian gauges corresponding to the same set of Wilson loops. PMID:23846153

  20. Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag-Mo binary system

    NASA Astrophysics Data System (ADS)

    Sarakinos, K.; Greczynski, G.; Elofsson, V.; Magnfält, D.; Högberg, H.; Alling, B.

    2016-03-01

    Metastable solid solutions are phases that are synthesized far from thermodynamic equilibrium and offer a versatile route to design materials with tailor-made functionalities. One of the most investigated classes of metastable solid solutions with widespread technological implications is vapor deposited ternary transition metal ceramic thin films (i.e., nitrides, carbides, and borides). The vapor-based synthesis of these ceramic phases involves complex and difficult to control chemical interactions of the vapor species with the growing film surface, which often makes the fundamental understanding of the composition-properties relations a challenging task. Hence, in the present study, we investigate the phase stability within an immiscible binary thin film system that offers a simpler synthesis chemistry, i.e., the Ag-Mo system. We employ magnetron co-sputtering to grow Ag1-xMox thin films over the entire composition range along with x-ray probes to investigate the films structure and bonding properties. Concurrently, we use density functional theory calculations to predict phase stability and determine the effect of chemical composition on the lattice volume and the electronic properties of Ag-Mo solid solutions. Our combined theoretical and experimental data show that Mo-rich films (x ≥ ˜0.54) form bcc Mo-Ag metastable solid solutions. Furthermore, for Ag-rich compositions (x ≤ ˜0.21), our data can be interpreted as Mo not being dissolved in the Ag fcc lattice. All in all, our data show an asymmetry with regards to the mutual solubility of Ag and Mo in the two crystal structures, i.e., Ag has a larger propensity for dissolving in the bcc-Mo lattice as compared to Mo in the fcc-Ag lattice. We explain these findings in light of isostructural short-range clustering that induces energy difference between the two (fcc and bcc) metastable phases. We also suggest that the phase stability can be explained by the larger atomic mobility of Ag atoms as compared to that

  1. Experimental study of an X-band phase-locked relativistic backward wave oscillator

    SciTech Connect

    Wu, Y.; Li, Z. H.; Xu, Z.

    2015-11-15

    To achieve high power microwave combined with high frequency band, an X-band phase-locked relativistic backward wave oscillator (RBWO) is proposed and investigated theoretically and experimentally using a modulated electron beam. In the device, an overmoded input cavity and a buncher cavity are employed to premodulate the electron beam. Particle-in-cell simulation shows that an input power of 90 kW is sufficient to lock the frequency and phase of 1.5 GW output microwave with the locking bandwidth of 60 MHz. Moreover, phase and frequency locking of an RBWO has been accomplished experimentally with an output power of 1.5 GW. The fluctuation of the relative phase difference between output microwave and input RF signal is less than ±20° with the locking duration of about 50 ns. The input RF power required to lock the oscillator is only 90 kW.

  2. Experimental study of an X-band phase-locked relativistic backward wave oscillator

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Li, Z. H.; Xu, Z.

    2015-11-01

    To achieve high power microwave combined with high frequency band, an X-band phase-locked relativistic backward wave oscillator (RBWO) is proposed and investigated theoretically and experimentally using a modulated electron beam. In the device, an overmoded input cavity and a buncher cavity are employed to premodulate the electron beam. Particle-in-cell simulation shows that an input power of 90 kW is sufficient to lock the frequency and phase of 1.5 GW output microwave with the locking bandwidth of 60 MHz. Moreover, phase and frequency locking of an RBWO has been accomplished experimentally with an output power of 1.5 GW. The fluctuation of the relative phase difference between output microwave and input RF signal is less than ±20° with the locking duration of about 50 ns. The input RF power required to lock the oscillator is only 90 kW.

  3. 3.6 AND 4.5 {mu}m PHASE CURVES AND EVIDENCE FOR NON-EQUILIBRIUM CHEMISTRY IN THE ATMOSPHERE OF EXTRASOLAR PLANET HD 189733b

    SciTech Connect

    Knutson, Heather A.; Lewis, Nikole; Showman, Adam P.; Fortney, Jonathan J.; Laughlin, Gregory; Burrows, Adam; Cowan, Nicolas B.; Agol, Eric; Aigrain, Suzanne; Charbonneau, David; Desert, Jean-Michel; Deming, Drake; Henry, Gregory W.; Langton, Jonathan

    2012-07-20

    We present new, full-orbit observations of the infrared phase variations of the canonical hot Jupiter HD 189733b obtained in the 3.6 and 4.5 {mu}m bands using the Spitzer Space Telescope. When combined with previous phase curve observations at 8.0 and 24 {mu}m, these data allow us to characterize the exoplanet's emission spectrum as a function of planetary longitude and to search for local variations in its vertical thermal profile and atmospheric composition. We utilize an improved method for removing the effects of intrapixel sensitivity variations and robustly extracting phase curve signals from these data, and we calculate our best-fit parameters and uncertainties using a wavelet-based Markov Chain Monte Carlo analysis that accounts for the presence of time-correlated noise in our data. We measure a phase curve amplitude of 0.1242% {+-} 0.0061% in the 3.6 {mu}m band and 0.0982% {+-} 0.0089% in the 4.5 {mu}m band, corresponding to brightness temperature contrasts of 503 {+-} 21 K and 264 {+-} 24 K, respectively. We find that the times of minimum and maximum flux occur several hours earlier than predicted for an atmosphere in radiative equilibrium, consistent with the eastward advection of gas by an equatorial super-rotating jet. The locations of the flux minima in our new data differ from our previous observations at 8 {mu}m, and we present new evidence indicating that the flux minimum observed in the 8 {mu}m is likely caused by an overshooting effect in the 8 {mu}m array. We obtain improved estimates for HD 189733b's dayside planet-star flux ratio of 0.1466% {+-} 0.0040% in the 3.6 {mu}m band and 0.1787% {+-} 0.0038% in the 4.5 {mu}m band, corresponding to brightness temperatures of 1328 {+-} 11 K and 1192 {+-} 9 K, respectively; these are the most accurate secondary eclipse depths obtained to date for an extrasolar planet. We compare our new dayside and nightside spectra for HD 189733b to the predictions of one-dimensional radiative transfer models from

  4. Experimental phasing for structure determination using membrane-protein crystals grown by the lipid cubic phase method

    SciTech Connect

    Li, Dianfan; Pye, Valerie E.; Caffrey, Martin

    2015-01-01

    Very little information is available in the literature concerning the experimental heavy-atom phasing of membrane-protein structures where the crystals have been grown using the lipid cubic phase (in meso) method. In this paper, pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine labelling as applied to an integral membrane kinase crystallized in meso are described. An assay to assess cysteine accessibility for mercury labelling of membrane proteins is introduced. Despite the marked increase in the number of membrane-protein structures solved using crystals grown by the lipid cubic phase or in meso method, only ten have been determined by SAD/MAD. This is likely to be a consequence of the technical difficulties associated with handling proteins and crystals in the sticky and viscous hosting mesophase that is usually incubated in glass sandwich plates for the purposes of crystallization. Here, a four-year campaign aimed at phasing the in meso structure of the integral membrane diacylglycerol kinase (DgkA) from Escherichia coli is reported. Heavy-atom labelling of this small hydrophobic enzyme was attempted by pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine incorporation. Strategies and techniques for special handling are reported, as well as the typical results and the lessons learned for each of these approaches. In addition, an assay to assess the accessibility of cysteine residues in membrane proteins for mercury labelling is introduced. The various techniques and strategies described will provide a valuable reference for future experimental phasing of membrane proteins where crystals are grown by the lipid cubic phase method.

  5. Experimental demonstration of phase bistability in a broad-area optical oscillator with injected signal

    NASA Astrophysics Data System (ADS)

    Martínez-Lorente, R.; Esteban-Martín, A.; Roldán, E.; Staliunas, K.; de Valcárcel, G. J.; Silva, F.

    2015-11-01

    We demonstrate experimentally that a broad-area laserlike optical oscillator (a nondegenerate photorefractive oscillator) with structured injected signal displays two-phase patterns. The technique [de Valcárcel and Staliunas, Phys. Rev. Lett. 105, 054101 (2010), 10.1103/PhysRevLett.105.054101] consists in spatially modulating the injection, so that its phase alternates periodically between two opposite values, i.e., differing by π .

  6. Experimental method of optical coherence characterization in phase-space measurement

    NASA Astrophysics Data System (ADS)

    Li, Jie-En; Fu, Jhih-Syuan; Hsiao, Ming-Shu; Tien, Chung-Hao

    2015-09-01

    A novel approach of phase-space measurement made its debut with the experimental result. We first designed an experiment based on the Young's interferometer to characterization the optical coherence property of light source. A well-known algorithm called Hough transformation was applied to deal with the misalignment of micro-lens array by post-processing. The phase-space image of plane wave was then reconstructed from the realigned raw image. Finally, the properties of this system were discussed.

  7. Experimental generation of Mathieu-Gauss beams with a phase-only spatial light modulator.

    PubMed

    Hernández-Hernández, R J; Terborg, R A; Ricardez-Vargas, I; Volke-Sepúlveda, K

    2010-12-20

    We present a novel method for the efficient generation of even, odd, and helical Mathieu-Gauss beams of arbitrary order and ellipticity by means of a phase-only spatial light modulator (SLM). Our method consists of displaying the phase of the desired beam in the SLM; the reconstructed field is obtained on-axis following a spatial filtering process with an annular aperture. The propagation invariance and topological properties of the generated beams are investigated numerically and experimentally. PMID:21173824

  8. Solids Far from Equilibrium

    NASA Astrophysics Data System (ADS)

    Godrèche, C.

    2011-03-01

    Preface; 1. Shape and growth of crystals P. Nozières; 2. Instabilities of planar solidification fronts B. Caroli, C. Caroli and B. Roulet; 3. An introduction to the kinetics of first-order phase transition J. S. Langer; 4. Dendritic growth and related topics Y. Pomeau and M. Ben Amar; 5. Growth and aggregation far from equilibrium L. M. Sander; 6. Kinetic roughening of growing surfaces J. Krug and H. Spohn; Acknowledgements; References; Index.

  9. The ruthenium-yttrium system: An experimental calorimetric study with a phase diagram optimization

    SciTech Connect

    Selhaoui, N.; Bouirden, L.; Charles, J.; Gachon, J.C.; Kleppa, O.J.

    1998-07-01

    After an experimental determination of the standard enthalpies of formation of Ru{sub 0.67}Y{sub 0.33} and Ru{sub 0.286}Y{sub 0.714}, the Ru-Y system was numerically assessed with help of NANCYUN software to check the consistency between the experimental results and the phase diagram proposed in the literature.

  10. Experimental Determination of Phase Equilibria in the Silver-Copper Oxide System at High Temperature

    SciTech Connect

    Darsell, Jens T.; Weil, K. Scott

    2007-06-01

    The phase diagram of silver-copper oxide was studied using thermal, microstructural and compositional analysis of quenched samples. The eutectic and monotectic temperature were found and compared to previous data. The miscibility gap was analyzed at higher temperatures than previous experimental work. The profile of the miscibility gap was found to extend from the monotectic composition and extend further into the copper rich portion than previously experimental work had show, which verifies a previous computational study.

  11. Equilibrium Shaping

    NASA Astrophysics Data System (ADS)

    Izzo, Dario; Petazzi, Lorenzo

    2006-08-01

    We present a satellite path planning technique able to make identical spacecraft aquire a given configuration. The technique exploits a behaviour-based approach to achieve an autonomous and distributed control over the relative geometry making use of limited sensorial information. A desired velocity is defined for each satellite as a sum of different contributions coming from generic high level behaviours: forcing the final desired configuration the behaviours are further defined by an inverse dynamic calculation dubbed Equilibrium Shaping. We show how considering only three different kind of behaviours it is possible to acquire a number of interesting formations and we set down the theoretical framework to find the entire set. We find that allowing a limited amount of communication the technique may be used also to form complex lattice structures. Several control feedbacks able to track the desired velocities are introduced and discussed. Our results suggest that sliding mode control is particularly appropriate in connection with the developed technique.

  12. Non-equilibrium universality in the dynamics of dissipative cold atomic gases

    NASA Astrophysics Data System (ADS)

    Marcuzzi, M.; Levi, E.; Li, W.; Garrahan, J. P.; Olmos, B.; Lesanovsky, I.

    2015-07-01

    The theory of continuous phase transitions predicts the universal collective properties of a physical system near a critical point, which for instance manifest in characteristic power-law behaviours of physical observables. The well-established concept at or near equilibrium, universality, can also characterize the physics of systems out of equilibrium. The most fundamental instance of a genuine non-equilibrium phase transition is the directed percolation (DP) universality class, where a system switches from an absorbing inactive to a fluctuating active phase. Despite being known for several decades it has been challenging to find experimental systems that manifest this transition. Here we show theoretically that signatures of the DP universality class can be observed in an atomic system with long-range interactions. Moreover, we demonstrate that even mesoscopic ensembles—which are currently studied experimentally—are sufficient to observe traces of this non-equilibrium phase transition in one, two and three dimensions.

  13. Theoretical and Experimental Estimations of Volumetric Inductive Phase Shift in Breast Cancer Tissue

    NASA Astrophysics Data System (ADS)

    González, C. A.; Lozano, L. M.; Uscanga, M. C.; Silva, J. G.; Polo, S. M.

    2013-04-01

    Impedance measurements based on magnetic induction for breast cancer detection has been proposed in some studies. This study evaluates theoretical and experimentally the use of a non-invasive technique based on magnetic induction for detection of patho-physiological conditions in breast cancer tissue associated to its volumetric electrical conductivity changes through inductive phase shift measurements. An induction coils-breast 3D pixel model was designed and tested. The model involves two circular coils coaxially centered and a human breast volume centrally placed with respect to the coils. A time-harmonic numerical simulation study addressed the effects of frequency-dependent electrical properties of tumoral tissue on the volumetric inductive phase shift of the breast model measured with the circular coils as inductor and sensor elements. Experimentally; five female volunteer patients with infiltrating ductal carcinoma previously diagnosed by the radiology and oncology departments of the Specialty Clinic for Women of the Mexican Army were measured by an experimental inductive spectrometer and the use of an ergonomic inductor-sensor coil designed to estimate the volumetric inductive phase shift in human breast tissue. Theoretical and experimental inductive phase shift estimations were developed at four frequencies: 0.01, 0.1, 1 and 10 MHz. The theoretical estimations were qualitatively in agreement with the experimental findings. Important increments in volumetric inductive phase shift measurements were evident at 0.01MHz in theoretical and experimental observations. The results suggest that the tested technique has the potential to detect pathological conditions in breast tissue associated to cancer by non-invasive monitoring. Further complementary studies are warranted to confirm the observations.

  14. Experimental Procedures for Determining the Invariant Triplet-Phases of X-Ray Reflections.

    NASA Astrophysics Data System (ADS)

    Nicolosi, Joseph Anthony

    The phases of x-ray reflections are retained when three-beams diffract simultaneously (Post, 1977, 1979). The phase information can be extracted from the angular distribution of diffracted intensity about the three beam setting. We have investigated methods of optimizng experimental procedures and have developed instrumentation for resolving the intensity asymmetries associated with n-beam interactions in centrosymmetric crystals. A device, which employs two crystals in a skew-parallel arrangement, was designed and used to produce monochromatic ((DELTA)(lamda)/(lamda) (TURN) 5 x 10('-4)) and highly collimated ((alpha)(,(theta)) (TURN) (alpha)(,(omega)) (LESSTHEQ) 60") incident radiation. A 6000 Watt rotating anode x-ray generator was used with a (300 (mu)m)('2) projected focus. An automated diffractometer, which incorporates "absolute" optical encoders, was used to orient and drive the study crystals with an accuracy of (+OR-) 0.001(DEGREES). These experimental procedures yielded an appreciable improvement in sensitivity over procedures used previously which utilized polychromatic and more divergent incident radiation. The sensitivity of our procedures has been checked using perfect crystals of Germanium and Silicon. The improved techniques were used to determine more than 200 triplet-phases experimentally in mosaic crystals of Lead Molybdate and Sulfamic Acid. The experimental phases agreed in all cases with those calculated from the known atomic coordinates of the compounds. The bases for generalized procedures to be used with crystals having large unit cells are discussed. Methods of applying the phase determining rules and estimating the approximate magnitudes of the n-beam interactions are described. The basis for a generalized experimental data collection procedure not restricted to the Renninger geometry is discussed. Such procedures require the use of automated techniques for calculation of experimental parameters of the samples studied.

  15. Experimental observation of excess noise in a detuned phase-modulation harmonic mode-locking laser

    SciTech Connect

    Yang Shiquan; Bao Xiaoyi

    2006-09-15

    The intracavity phase-modulated laser can work in two distinct stages: 1) phase mode-locking when the applied modulation frequency is equal to the cavity's fundamental frequency or one of its harmonics, and 2) the FM laser oscillation at a moderate detuned modulation frequency. In this paper, we experimentally studied the noise buildup process in the transition from FM laser oscillation to phase mode-locking in a phase-modulated laser. We found that the relaxation oscillation frequency varies with the modulation frequency detuning and the relaxation oscillation will occur twice in the transition region. Between these two relaxation oscillations, the supermode noise can be significantly enhanced, which is evidence of excess noise in laser systems. All of these results can be explained by the theory of Floquet modes in a phase-modulated laser cavity.

  16. Experimental Studies of the Phase Diagram Leucite - Nepheline - Diopside under 4.0GPa and High Temperatures

    NASA Astrophysics Data System (ADS)

    Conceicao, R. V.; Wilbert de Souza, M. R.; Cedeno, D. G.; Schmitz Quinteiro, R. V.

    2015-12-01

    One of the most important heat sources for the Earth's interior is the radioactive decay of radiogenic elements, mainly 235U, 238U, 232Th and 40K radionuclides. However, our planet emits much more heat than that expected for the energy produced by the calculated concentration of these elements in the Earth's Mantle, even if we consider solar radiation and planetary accretion energy too. Such data suggest that the concentration of all these elements, or some of them, is underestimated and several authors suggest that some of these elements could be enriched even in the Earth's core, despite their lithophyle characteristics. In this study, we focus on the potassium behavior, concentration in the mantle and we aim to find stable mineral phases under high pressure and temperature, able to keep potassium (and by consequence its radioactive 40K isotope) and water in their structure in the mantle conditions. In such way, we will be able to better understand the role of potassium in the mantle as a heat source to the Earth's interior. We conducted experimental runs in which synthetic vitreous samples, stoichiometrically equivalent to different concentrations of leucite, nepheline and diopside, are processed in a 1000 tonf hydraulic press, under 4.0 GPa (equivalent to 120 km Earth deep) and temperatures up to 1400 °C. As run products, we obtained euhedral minerals in equilibrium with a liquid (melt), simulating a potassium enriched mantle environment. The samples are analyzed by XRD, SEM-EDS and EPMA techniques, and the produced data is used to construct the "Leucite-Nepheline-Diopside under 4.0GPa and dry conditions" ternary phase diagram. Preliminary semiquantitative data (EDS), plotted in the diagram, show that clinopyroxene keeps up to 2wt% of K2O in its structure in absence of potassic phases and in the presence of nepheline. The amount of K2O decreases to 0,1wt% if kalsilite is present, which is the potassic stable phase in the experiment conditions. Compared to

  17. Experimental Demonstration of Phase Modulation and Motion Sensing Using Graphene-Integrated Metasurfaces.

    PubMed

    Dabidian, Nima; Dutta-Gupta, Shourya; Kholmanov, Iskandar; Lai, Kueifu; Lu, Feng; Lee, Jongwon; Jin, Mingzhou; Trendafilov, Simeon; Khanikaev, Alexander; Fallahazad, Babak; Tutuc, Emanuel; Belkin, Mikhail A; Shvets, Gennady

    2016-06-01

    Strong interaction of graphene with light accounts for one of its most remarkable properties: the ability to absorb 2.3% of the incident light's energy within a single atomic layer. Free carrier injection via field-effect gating can dramatically vary the optical properties of graphene, thereby enabling fast graphene-based modulators of the light intensity. However, the very thinness of graphene makes it difficult to modulate the other fundamental property of the light wave: its optical phase. Here we demonstrate that considerable phase control can be achieved by integrating a single-layer graphene (SLG) with a resonant plasmonic metasurface that contains nanoscale gaps. By concentrating the light intensity inside of the nanogaps, the metasurface dramatically increases the coupling of light to the SLG and enables control of the phase of the reflected mid-infrared light by as much as 55° via field-effect gating. We experimentally demonstrate graphene-based phase modulators that maintain the amplitude of the reflected light essentially constant over most of the phase tuning range. Rapid nonmechanical phase modulation enables a new experimental technique, graphene-based laser interferometry, which we use to demonstrate motion detection with nanoscale precision. We also demonstrate that by the judicious choice of a strongly anisotropic metasurface the graphene-controlled phase shift of light can be rendered polarization-dependent. Using the experimentally measured phases for the two orthogonal polarizations, we demonstrate that the polarization state of the reflected light can be by modulated by carrier injection into the SLG. These results pave the way for novel high-speed graphene-based optical devices and sensors such as polarimeters, ellipsometers, and frequency modulators. PMID:27152557

  18. Open problems in non-equilibrium physics

    SciTech Connect

    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.

  19. Experimental Manpower Laboratory for Corrections: Final Interim Report for Phase IV (March 1973 - February 1974).

    ERIC Educational Resources Information Center

    Rehabilitation Research Foundation, Montgomery, AL.

    Reports are presented on three phase four projects being carried out by the Experimental Manpower Laboratory for Corrections (EMLC) using a behavioral approach to the problems of the offender. The Mount Meigs Project is concerned with a behavioral management program, using a token economy, in the academic education division of the Alabama…

  20. A log-likelihood-gain intensity target for crystallographic phasing that accounts for experimental error.

    PubMed

    Read, Randy J; McCoy, Airlie J

    2016-03-01

    The crystallographic diffraction experiment measures Bragg intensities; crystallographic electron-density maps and other crystallographic calculations in phasing require structure-factor amplitudes. If data were measured with no errors, the structure-factor amplitudes would be trivially proportional to the square roots of the intensities. When the experimental errors are large, and especially when random errors yield negative net intensities, the conversion of intensities and their error estimates into amplitudes and associated error estimates becomes nontrivial. Although this problem has been addressed intermittently in the history of crystallographic phasing, current approaches to accounting for experimental errors in macromolecular crystallography have numerous significant defects. These have been addressed with the formulation of LLGI, a log-likelihood-gain function in terms of the Bragg intensities and their associated experimental error estimates. LLGI has the correct asymptotic behaviour for data with large experimental error, appropriately downweighting these reflections without introducing bias. LLGI abrogates the need for the conversion of intensity data to amplitudes, which is usually performed with the French and Wilson method [French & Wilson (1978), Acta Cryst. A35, 517-525], wherever likelihood target functions are required. It has general applicability for a wide variety of algorithms in macromolecular crystallography, including scaling, characterizing anisotropy and translational noncrystallographic symmetry, detecting outliers, experimental phasing, molecular replacement and refinement. Because it is impossible to reliably recover the original intensity data from amplitudes, it is suggested that crystallographers should always deposit the intensity data in the Protein Data Bank. PMID:26960124

  1. A log-likelihood-gain intensity target for crystallographic phasing that accounts for experimental error

    PubMed Central

    Read, Randy J.; McCoy, Airlie J.

    2016-01-01

    The crystallographic diffraction experiment measures Bragg intensities; crystallo­graphic electron-density maps and other crystallographic calculations in phasing require structure-factor amplitudes. If data were measured with no errors, the structure-factor amplitudes would be trivially proportional to the square roots of the intensities. When the experimental errors are large, and especially when random errors yield negative net intensities, the conversion of intensities and their error estimates into amplitudes and associated error estimates becomes nontrivial. Although this problem has been addressed intermittently in the history of crystallographic phasing, current approaches to accounting for experimental errors in macromolecular crystallography have numerous significant defects. These have been addressed with the formulation of LLGI, a log-likelihood-gain function in terms of the Bragg intensities and their associated experimental error estimates. LLGI has the correct asymptotic behaviour for data with large experimental error, appropriately downweighting these reflections without introducing bias. LLGI abrogates the need for the conversion of intensity data to amplitudes, which is usually performed with the French and Wilson method [French & Wilson (1978 ▸), Acta Cryst. A35, 517–525], wherever likelihood target functions are required. It has general applicability for a wide variety of algorithms in macromolecular crystallography, including scaling, characterizing anisotropy and translational noncrystallographic symmetry, detecting outliers, experimental phasing, molecular replacement and refinement. Because it is impossible to reliably recover the original intensity data from amplitudes, it is suggested that crystallographers should always deposit the intensity data in the Protein Data Bank. PMID:26960124

  2. Experimental phase determination of the structure factor from Kossel line profile

    PubMed Central

    Faigel, G.; Bortel, G.; Tegze, M.

    2016-01-01

    Kossel lines are formed when radiation from point x-ray sources inside a single crystal are diffracted by the crystal itself. In principle, Kossel line patterns contain full information on the crystalline structure: phase and magnitude of the structure factors. The phase is coded into the profile of the lines. Although this was known for a long time, experimental realization has not been presented. In this work we demonstrate experimentally that phases can be directly determined from the profile of the Kossel lines. These measurements are interesting not only theoretically, but they would facilitate structure solution of samples within extreme conditions, such as high pressure, high and low temperatures, high magnetic fields and extremely short times. The parallel measurement of many diffraction lines on a stationary sample will allow a more efficient use of the new generation of x-ray sources the X-ray free electron lasers (XFELs). PMID:26965321

  3. Experimental phase determination of the structure factor from Kossel line profile.

    PubMed

    Faigel, G; Bortel, G; Tegze, M

    2016-01-01

    Kossel lines are formed when radiation from point x-ray sources inside a single crystal are diffracted by the crystal itself. In principle, Kossel line patterns contain full information on the crystalline structure: phase and magnitude of the structure factors. The phase is coded into the profile of the lines. Although this was known for a long time, experimental realization has not been presented. In this work we demonstrate experimentally that phases can be directly determined from the profile of the Kossel lines. These measurements are interesting not only theoretically, but they would facilitate structure solution of samples within extreme conditions, such as high pressure, high and low temperatures, high magnetic fields and extremely short times. The parallel measurement of many diffraction lines on a stationary sample will allow a more efficient use of the new generation of x-ray sources the X-ray free electron lasers (XFELs). PMID:26965321

  4. Experimental phasing for structure determination using membrane-protein crystals grown by the lipid cubic phase method

    PubMed Central

    Li, Dianfan; Pye, Valerie E.; Caffrey, Martin

    2015-01-01

    Despite the marked increase in the number of membrane-protein structures solved using crystals grown by the lipid cubic phase or in meso method, only ten have been determined by SAD/MAD. This is likely to be a consequence of the technical difficulties associated with handling proteins and crystals in the sticky and viscous hosting mesophase that is usually incubated in glass sandwich plates for the purposes of crystallization. Here, a four-year campaign aimed at phasing the in meso structure of the integral membrane diacylglycerol kinase (DgkA) from Escherichia coli is reported. Heavy-atom labelling of this small hydrophobic enzyme was attempted by pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine incorporation. Strategies and techniques for special handling are reported, as well as the typical results and the lessons learned for each of these approaches. In addition, an assay to assess the accessibility of cysteine residues in membrane proteins for mercury labelling is introduced. The various techniques and strategies described will provide a valuable reference for future experimental phasing of membrane proteins where crystals are grown by the lipid cubic phase method. PMID:25615865

  5. Motif distributions in phase-space networks for characterizing experimental two-phase flow patterns with chaotic features.

    PubMed

    Gao, Zhong-Ke; Jin, Ning-De; Wang, Wen-Xu; Lai, Ying-Cheng

    2010-07-01

    The dynamics of two-phase flows have been a challenging problem in nonlinear dynamics and fluid mechanics. We propose a method to characterize and distinguish patterns from inclined water-oil flow experiments based on the concept of network motifs that have found great usage in network science and systems biology. In particular, we construct from measured time series phase-space complex networks and then calculate the distribution of a set of distinct network motifs. To gain insight, we first test the approach using time series from classical chaotic systems and find a universal feature: motif distributions from different chaotic systems are generally highly heterogeneous. Our main finding is that the distributions from experimental two-phase flows tend to be heterogeneous as well, suggesting the underlying chaotic nature of the flow patterns. Calculation of the maximal Lyapunov exponent provides further support for this. Motif distributions can thus be a feasible tool to understand the dynamics of realistic two-phase flow patterns. PMID:20866710

  6. SH-SV Polarization Anisotropy:Interpretation of Experimentally Measured Love and Rayleigh Wave Phase Velocities

    NASA Astrophysics Data System (ADS)

    Gurung, G.; Schwab, F. A.; Jo, B. G.; Lee, W. D.; Oh, C. W. W.

    2015-12-01

    It is sometimes not possible to find a single isotropic structure whose computed phase velocities fit both the experimental, fundamental-mode Love and Rayleigh wave data, for earth models that are perfectly elastic and are composed of thick, low contrast layers. Usually, velocity anisotropy of the body waves is applied to the earth models to fit the data. A few early studies used thin, high contrast layers in perfectly-elastic isotropic models to obtain approximate fit to the experimental data; here, we improve and expand this successful isotropic modelling by generalizing to realistic, anelastic layers, and by also requiring a fit to the fundamental-mode Love and Rayleigh wave amplitude-attenuation data. We treat the Love and Rayleigh wave data from the central United States, where this Love-Rayleigh "discrepancy" was discovered by McEvilly. Using only the experimental phase-velocity data, with the insertion of a thin, high contrast LVZ in each of the granitic, basaltic-grabbroic, and olivine regions, we find a continuum of isotropic models that give successful fits to the experimental data. Then by adding experimental amplitude-attenuation to the data, we attempt to reduce this huge volume of isotropic solutions: with the three thin LVZs, we successfully restricted the solutions by simultaneously fitting the experimental data for both Love and Rayleigh wave, phase-velocity and amplitude-attenuation dispersions. However, in the solution the body-wave velocities and Q values of these thin layers are improbably low, and these single-layer LVZs can only be considered effective representations; the true, physical situation requires the replacement of any one of these single-layer LVZs by a vertical distribution of N layers, each having the same thickness as the original thin layer. A simple scaling of the single-layer, seismic velocities and Qs then provides completely reasonable values for these parameters in the N-layer representation (which yields the same

  7. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  8. A search for equilibrium states

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1982-01-01

    An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.

  9. Experimental Validation of Pulse Phase Tracking for X-Ray Pulsar Based

    NASA Technical Reports Server (NTRS)

    Anderson, Kevin

    2012-01-01

    Pulsars are a form of variable celestial source that have shown to be usable as aids for autonomous, deep space navigation. Particularly those sources emitting in the X-ray band are ideal for navigation due to smaller detector sizes. In this paper X-ray photons arriving from a pulsar are modeled as a non-homogeneous Poisson process. The method of pulse phase tracking is then investigated as a technique to measure the radial distance traveled by a spacecraft over an observation interval. A maximum-likelihood phase estimator (MLE) is used for the case where the observed frequency signal is constant. For the varying signal frequency case, an algorithm is used in which the observation window is broken up into smaller blocks over which an MLE is used. The outputs of this phase estimation process were then looped through a digital phase-locked loop (DPLL) in order to reduce the errors and produce estimates of the doppler frequency. These phase tracking algorithms were tested both in a computer simulation environment and using the NASA Goddard Space flight Center X-ray Navigation Laboratory Testbed (GXLT). This provided an experimental validation with photons being emitted by a modulated X-ray source and detected by a silicon-drift detector. Models of the Crab pulsar and the pulsar B1821-24 were used in order to generate test scenarios. Three different simulated detector trajectories were used to be tracked by the phase tracking algorithm: a stationary case, one with constant velocity, and one with constant acceleration. All three were performed in one-dimension along the line of sight to the pulsar. The first two had a constant signal frequency and the third had a time varying frequency. All of the constant frequency cases were processed using the MLE, and it was shown that they tracked the initial phase within 0.15% for the simulations and 2.5% in the experiments, based on an average of ten runs. The MLE-DPLL cascade version of the phase tracking algorithm was used in

  10. The magic triangle goes MAD: experimental phasing with a bromine derivative

    SciTech Connect

    Beck, Tobias Gruene, Tim; Sheldrick, George M.

    2010-04-01

    5-Amino-2, 4, 6-tribromoisophthalic acid is used as a phasing tool for protein structure determination by MAD phasing. It is the second representative of a novel class of compounds for heavy-atom derivatization that combine heavy atoms with amino and carboxyl groups for binding to proteins. Experimental phasing is an essential technique for the solution of macromolecular structures. Since many heavy-atom ion soaks suffer from nonspecific binding, a novel class of compounds has been developed that combines heavy atoms with functional groups for binding to proteins. The phasing tool 5-amino-2, 4, 6-tribromoisophthalic acid (B3C) contains three functional groups (two carboxylate groups and one amino group) that interact with proteins via hydrogen bonds. Three Br atoms suitable for anomalous dispersion phasing are arranged in an equilateral triangle and are thus readily identified in the heavy-atom substructure. B3C was incorporated into proteinase K and a multiwavelength anomalous dispersion (MAD) experiment at the Br K edge was successfully carried out. Radiation damage to the bromine–carbon bond was investigated. A comparison with the phasing tool I3C that contains three I atoms for single-wavelength anomalous dispersion (SAD) phasing was also carried out.

  11. Experimental results from a preclinical X-ray phase-contrast CT scanner

    PubMed Central

    Tapfer, Arne; Bech, Martin; Velroyen, Astrid; Meiser, Jan; Mohr, Jürgen; Walter, Marco; Schulz, Joachim; Pauwels, Bart; Bruyndonckx, Peter; Liu, Xuan; Sasov, Alexander; Pfeiffer, Franz

    2012-01-01

    To explore the future clinical potential of improved soft-tissue visibility with grating-based X-ray phase contrast (PC), we have developed a first preclinical computed tomography (CT) scanner featuring a rotating gantry. The main challenge in the transition from previous bench-top systems to a preclinical scanner are phase artifacts that are caused by minimal changes in the grating alignment during gantry rotation. In this paper, we present the first experimental results from the system together with an adaptive phase recovery method that corrects for these phase artifacts. Using this method, we show that the scanner can recover quantitatively accurate Hounsfield units in attenuation and phase. Moreover, we present a first tomography scan of biological tissue with complementary information in attenuation and phase contrast. The present study hence demonstrates the feasibility of grating-based phase contrast with a rotating gantry for the first time and paves the way for future in vivo studies on small animal disease models (in the mid-term future) and human diagnostics applications (in the long-term future). PMID:23019354

  12. Phase-equilibrium geobarometers for silicic rocks based on rhyolite-MELTS—Part 3: Application to the Peach Spring Tuff (Arizona-California-Nevada, USA)

    NASA Astrophysics Data System (ADS)

    Pamukcu, Ayla S.; Gualda, Guilherme A. R.; Ghiorso, Mark S.; Miller, Calvin F.; McCracken, Reba G.

    2015-03-01

    Establishing the depths of magma accumulation is critical to understanding how magmas evolve and erupt, but developing methods to constrain these pressures is challenging. We apply the new rhyolite-MELTS phase-equilibria geobarometer—based on the equilibrium between melt, quartz, and two feldspars—to matrix glass compositions from Peach Spring Tuff (Arizona-California-Nevada, USA) high-silica rhyolite. We compare the results to those from amphibole geothermobarometry, projection of glass compositions onto the haplogranitic ternary, and glass SiO2 geobarometry. Quartz + 2 feldspar rhyolite-MELTS pressures span a relatively small range (185-230 MPa), consistent with nearly homogeneous crystal compositions, and are similar to estimates based on projection onto the haplogranitic ternary (250 ± 50 MPa) and on glass SiO2 (255-275 MPa). Amphibole geothermobarometry gives much wider pressure ranges (temperature-independent: ~65-300 MPa; temperature-dependent: ~75-295 MPa; amphibole-only: ~80-950 MPa); average Anderson and Smith (Am Mineral 80:549-559, 1995) + Blundy and Holland (Contrib Miner Petrol 104:208-224, 1990) or Holland and Blundy (Contrib Miner Petrol 116:433-447, 1994—Thermometer A, B) pressures are most similar to phase-equilibria results (~220, 210, 190 MPa, respectively). Crystallization temperatures determined previously with rhyolite-MELTS (742 °C), Zr-in-sphene (769 ± 20 °C), and zircon saturation (770-780 °C) geothermometry are similar, but temperatures from amphibole geothermometry (~450-955 °C) are notably different; the average Anderson and Smith + Holland and Blundy (1994—Thermometer B; ~710 °C) temperature is most consistent with previous estimates. The rhyolite-MELTS geobarometer effectively culls glass compositions affected by alteration or analytical issues; Peach Spring glass compositions that yield pressure estimates reveal a tight range of plausible Na2O and K2O contents, suggesting that low Na2O and high K2O contents of many

  13. A computational study of projectile shape dependence on phase change phenomena with comparisons to experimental data

    SciTech Connect

    Hertel, E.S. Jr.; McIntosh, R.L.; Patterson, B.C.

    1994-10-01

    To make an estimate of the current state of predictive capabilities of hydrocodes for impacts where phase changes may be important, we have simulated a series of experiments where a zinc sphere, rod, and plate impact thin zinc plates at 5 km/s. The experimental data consists of radiographs of the debris cloud and visual evidence of the damage in an aluminum witness plate. CTH was used to simulate the three experiments noted above. A detailed comparison of the simulated debris structure and subsequent damage will be made with the available data. In general, the CTH predictions match the experimental record.

  14. A phase-field model for ductile fracture at finite strains and its experimental verification

    NASA Astrophysics Data System (ADS)

    Ambati, Marreddy; Kruse, Roland; De Lorenzis, Laura

    2016-01-01

    In this paper, a phase-field model for ductile fracture previously proposed in the kinematically linear regime is extended to the three-dimensional finite strain setting, and its predictions are qualitatively and quantitatively compared with several experimental results, both from ad-hoc tests carried out by the authors and from the available literature. The proposed model is based on the physical assumption that fracture occurs when a scalar measure of the accumulated plastic strain reaches a critical value, and such assumption is introduced through the dependency of the phase-field degradation function on this scalar measure. The proposed model is able to capture the experimentally observed sequence of elasto-plastic deformation, necking and fracture phenomena in flat specimens; the occurrence of cup-and-cone fracture patterns in axisymmetric specimens; the role played by notches and by their size on the measured displacement at fracture; and the sequence of distinct cracking events observed in more complex specimens.

  15. Experimental realization of new topological phases of matter beyond topological insulators

    NASA Astrophysics Data System (ADS)

    Neupane, Madhab

    A three-dimensional (3D) Z2 topological insulator (TI) is a crystalline solid, which is an insulator in the bulk but features spin-polarized Dirac electron states on its surface. In 2007, the first 3D TI was discovered in a bismuth-based compound. The discovery of the first TI tremendously accelerated research into phases of matter characterized by non-trivial topological invariants. Not only did the 3D Z2 TI itself attract great research interest, it also inspired the prediction of a range of new topological phases of matter. The primary examples are the topological Kondo insulator, the topological 3D Dirac and Weyl semimetals, the topological crystalline insulator, topological nodal line semimetal and the topological superconductor. Each of these phases was predicted to exhibit surface states with unique properties protected by a non-trivial topological invariant. In this talk, I will discuss the experimental realization of these new phases of matter in real materials by momentum and time-resolved photoemission spectroscopy. Special attention will be given to the experimental discovery of Dirac semimetal phase in Cd3As2 and topological nodal-line phase in PbTaSe2. The unusual properties of the protected topological surface states can lead to potential future applications in spintronics and quantum information, which hold promise to revolutionize our electronics and energy industries. This work is supported by start-up funds from University of Central Florida (MN) andLos Alamos National Laboratory LDRD program. The work at Princeton and Princeton-led ARPES measurements are supported by the Gordon and Betty Moore Foundations EPiQS Initiative through grant GBMF4547 (Hasan) and by U.S. Department of Energy DE-FG-02-05ER46200.

  16. Importance of granulometry on phase evolution and phase-to-phase relationships of experimentally burned impure limestones intended for production of hydraulic lime and/or natural cement

    NASA Astrophysics Data System (ADS)

    Kozlovcev, Petr; Přikryl, Richard; Přikrylová, Jiřina

    2015-04-01

    In contrast to modern ordinary Portland cement production from finely ground raw material blends, ancient burning of hydraulic lime was conducted by burning larger pieces of natural raw material. Due to natural variability of raw material composition, exploitation of different beds from even one formation can result the product with significantly different composition and/or properties. Prague basin (Neoproterozoic to pre-Variscan Palaeozoic of the central part of the Bohemian Massif - the so-called Barrandian area, Czech Republic) represents a classical example of the limestone-rich region with long-term history of limestone burning for quick lime and/or various types of hydraulic binders. Due to the fact that burning of natural hydraulic lime has been abandoned in this region at the turn of 19th/20th c., significant gap in knowledge on the behavior of various limestone types and on the influence of minor variance in composition on the quality of burned product is encountered. Moreover, the importance of employment of larger pieces of raw material for burning for the development of proper phase-to-phase relationships (i.e. development of hydraulic phases below sintering temperature at mutual contacts of minerals) has not been examined before. To fill this gap, a representative specimens of major limestone types from the Prague basin have been selected for experimental study: Upper Silurian limestone types (Přídolí and Kopanina Lms.), and Lower Devonian limestones (Radotín, Kotýs, Řeporyje, Dvorce-Prokop, and Zlíchov Lms.). Petrographic character of the experimental material was examined by polarizing microscopy, cathodoluminescence, scanning electron microscopy with an energy dispersive spectrometer (SEM-EDS), and X-ray diffraction (XRD) of insoluble residue. Based on the data from wet silicate analyses, modal composition of studied impure limestones was computed. Experimental raw material was burned in laboratory electric furnace at 1000 and 1200°C for 3

  17. Equilibrium Electroconvective Instability

    NASA Astrophysics Data System (ADS)

    Rubinstein, I.; Zaltzman, B.

    2015-03-01

    Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The 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 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 of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.

  18. The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: scientific objectives and experimental design

    NASA Astrophysics Data System (ADS)

    Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew; Salzmann, Ulrich

    2016-03-01

    The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, as well as their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilized for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilize state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land-ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales, and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

  19. The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: Scientific Objectives and Experimental Design

    NASA Technical Reports Server (NTRS)

    Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew; Salzmann, Ulrich

    2016-01-01

    The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, as well as their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilized for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilize state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land-ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales, and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

  20. Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studies.

    PubMed

    Ghosh, Mrinal; Banerjee, Shaibal; Shafeeuulla Khan, Md Abdul; Sikder, Nirmala; Sikder, Arun Kanti

    2016-09-14

    Multiphase growth during crystallization severely affects deliverable output of explosive materials. Appearance and incomplete transformation of metastable phases are a major source of polymorphic impurities. This article presents a methodical and molecular level understanding of the metastable phase transformation mechanism during crystallization of cyclic nitramine explosives, viz. RDX, HMX and CL-20. Instantaneous reverse precipitation yielded metastable γ-HMX and β-CL-20 which undergo solution mediated transformation to the respective thermodynamic forms, β-HMX and ε-CL-20, following 'Ostwald's rule of stages'. However, no metastable phase, anticipated as β-RDX, was evidenced during precipitation of RDX, which rather directly yielded the thermodynamically stable α-phase. The γ→β-HMX and β→ε-CL-20 transformations took 20 and 60 minutes respectively, whereas formation of α-RDX was instantaneous. Density functional calculations were employed to identify the possible transition state conformations and to obtain activation barriers for transformations at wB97XD/6-311++G(d,p)(IEFPCM)//B3LYP/6-311G(d,p) level of theory. The computed activation barriers and lattice energies responsible for transformation of RDX, HMX and CL-20 metastable phases to thermodynamic ones conspicuously supported the experimentally observed order of phase stability. This precise result facilitated an understanding of the occurrence of a relatively more sensitive and less dense β-CL-20 phase in TNT based melt-cast explosive compositions, a persistent and critical problem unanswered in the literature. The crystalline material recovered from such compositions revealed a mixture of β- and ε-CL-20. However, similar compositions of RDX and HMX never showed any metastable phase. The relatively long stability with the highest activation barrier is believed to restrict complete β→ε-CL-20 transformation during processing. Therefore a method is suggested to overcome this issue. PMID

  1. Contrasting estimates on the depth of magma storage zones in volcanic systems from mineral barometry and phase equilibrium experiments: a case study from Mount Merapi, Indonesia

    NASA Astrophysics Data System (ADS)

    Erdmann, Saskia; Martel, Caroline

    2015-04-01

    Mount Merapi, located in central Java, erupts on average every 5-10 years by discharging block-and-ash flows that pose local, but spatially restricted hazards. In 2010, however, the volcano erupted with a force that has been unprecedented in over 100 years. Its proximity to the metropolis of Yogyakarta with a population of >4 million makes short- and long-term eruption forecasting a task of vital importance. Critical to the appraisal of the volcano's hazard potential are tight constraints on its upper-crustal magma plumbing system and particularly on the location of its pre-eruptive reservoir. Previous petrological studies have estimated on the basis of amphibole and clinopyroxene barometry that the main magma storage zone below Merapi is located at depths of >10-15 km, while geophysical surveys have inferred significant magma storage zones at depths of ~5.5-9 km. We have carried out phase equilibrium experiments on basaltic andesite erupted in 2010, which indicate that the main pre-eruptive reservoir is located at a depth of ~7-8 km (~200 MPa). Our results thus corroborate the findings of earlier geophysical surveys and highlight the extreme uncertainty of mineral-based pressure estimates for volcanic magma systems. We point out that the commonly employed amphibole barometric calibrations of Ridolfi et al. (2010) and Ridolfi & Renzulli (2012) calculate low crystallization pressure for amphibole crystallized from felsic melt and high crystallization pressure for amphibole crystallized from mafic melt, and that the calculated pressure is thus largely unrelated to true values. Commonly employed clinopyroxene barometers (e.g., those of Nimis 1999; Putirka 2008) are also of limited use for estimating the location of crustal magma reservoirs, because the methods have large standard errors and are extremely temperature-sensitive. As a result, the calculated crystallization pressures inevitably indicate crystallization over a large range of depths, often from deep- to

  2. Experimental and Analytical Study of Two-Phase Flow in Microgravity

    NASA Technical Reports Server (NTRS)

    McQuillen, John B.; Abdollahian, Davood; Quintal, J.; Zahm, J.

    1996-01-01

    Design of the two-phase flow systems which are anticipated to be utilized in future spacecraft thermal management systems requires a knowledge of two-phase flow and heat transfer parameters in reduced gravities. A program has been initiated by NASA to design a two-phase test loop and to perform a series of experiments to study the effect of gravity on the Critical Heat Flux (CHF) and onset of instability. The test loop is also instrumented to generate data for two-phase pressure drop. In addition to low gravity airplane trajectory testing, the experimental program consisted of a set of laboratory tests which were intended to generate data under the bounding conditions (+1 g and -1 g) in order to plan the test matrix. One set of airplane trajectory tests has been performed and several modifications to the test set-up have been identified. Preliminary test results have been used to demonstrate the applicability of the earth gravity models for prediction of the two-phase friction pressure drop.

  3. Experimental confirmation of calculated phases and electron density profile for wet native collagen.

    PubMed Central

    Stinson, R H; Bartlett, M W; Kurg, T; Sweeny, P R; Hendricks, R W

    1979-01-01

    An experimental procedure is developed to phase the reflections obtained in x-ray diffraction investigations of collagen in native wet tendons. Phosphotungstic acid was used for isomorphous addition in phase determination and was located by electron microscopy. Structure factors (with phases) were obtained from the electron microscopy data for the heavy metal. Structure-factor magnitudes for collagen with and without the heavy metal were obtained from the x-ray diffraction data. The first 10 orders were investigated. Standard Argand diagrams provided two solutions for each of these, except the weak sixth order. In each case, one of the two possible solutions agrees well with the phases proposed on theoretical grounds by Hulmes et al. The present results suggest that their other proposed phases are probably correct. An electron density profile along the unit cell of the fibril is presented that shows a distinct step, as expected on the basis of the hole-overlap model. The overlap region is 48% of the length of the unit cell. Images FIGURE 2 PMID:262416

  4. Experimental Studies on the Measurement of Oil-water Two-phase Flow

    NASA Astrophysics Data System (ADS)

    Ma, Longbo; Zhang, Hongjian; Hua, Yuefang; Zhou, Hongliang

    2007-06-01

    Oil-water two-phase flow measurement was investigated with a Venturi meter and double-U Coriolis meter in this work. Based on the Venturi differential pressure and the quality of two-phase flow, a model for measuring oil-water mass flow rate was developed, in which fluid asymmetry of oil-water two-phase flow was considered. However, measuring the quality of two-phase flow on-line is rather difficult at present. Though double-U Coriolis meter can provide accurate measurement of two-phase flow, it can not provide desired respective mass flow rate. Therefore, a double-parameter measurement method with Venturi meter and double-U Coriolis meter is proposed. According to the flow rate requirement of Venturi, a new flow regime identification method based on Support Vector Machine (SVM) has been developed for the separated flow and the dispersed flow. With the Venturi model developed in this paper and mass flow rate of oil-water mixture measured with double-U Coriolis meter, mixture mass flow rate, oil mass flow rate and water mass flow rate could be obtained by the correlation. Experiments of flow rate measurement of oil-water two-phase flow were carried out in the horizontal tube with 25mm inner diameter. The water fraction range is from 5% to 95%. Experimental results showed that the flow regime could be identified well with SVM, and the relative error of the total mass flow rate and respective mass flow rate of oil-water two-phase flow was less than ±1.5% and ±10%, respectively.

  5. Comprehensive multiphase NMR spectroscopy: basic experimental approaches to differentiate phases in heterogeneous samples.

    PubMed

    Courtier-Murias, Denis; Farooq, Hashim; Masoom, Hussain; Botana, Adolfo; Soong, Ronald; Longstaffe, James G; Simpson, Myrna J; Maas, Werner E; Fey, Michael; Andrew, Brian; Struppe, Jochem; Hutchins, Howard; Krishnamurthy, Sridevi; Kumar, Rajeev; Monette, Martine; Stronks, Henry J; Hume, Alan; Simpson, André J

    2012-04-01

    Heterogeneous samples, such as soils, sediments, plants, tissues, foods and organisms, often contain liquid-, gel- and solid-like phases and it is the synergism between these phases that determine their environmental and biological properties. Studying each phase separately can perturb the sample, removing important structural information such as chemical interactions at the gel-solid interface, kinetics across boundaries and conformation in the natural state. In order to overcome these limitations a Comprehensive Multiphase-Nuclear Magnetic Resonance (CMP-NMR) probe has been developed, and is introduced here, that permits all bonds in all phases to be studied and differentiated in whole unaltered natural samples. The CMP-NMR probe is built with high power circuitry, Magic Angle Spinning (MAS), is fitted with a lock channel, pulse field gradients, and is fully susceptibility matched. Consequently, this novel NMR probe has to cover all HR-MAS aspects without compromising power handling to permit the full range of solution-, gel- and solid-state experiments available today. Using this technology, both structures and interactions can be studied independently in each phase as well as transfer/interactions between phases within a heterogeneous sample. This paper outlines some basic experimental approaches using a model heterogeneous multiphase sample containing liquid-, gel- and solid-like components in water, yielding separate (1)H and (13)C spectra for the different phases. In addition, (19)F performance is also addressed. To illustrate the capability of (19)F NMR soil samples, containing two different contaminants, are used, demonstrating a preliminary, but real-world application of this technology. This novel NMR approach possesses a great potential for the in situ study of natural samples in their native state. PMID:22425441

  6. Comprehensive multiphase NMR spectroscopy: Basic experimental approaches to differentiate phases in heterogeneous samples

    NASA Astrophysics Data System (ADS)

    Courtier-Murias, Denis; Farooq, Hashim; Masoom, Hussain; Botana, Adolfo; Soong, Ronald; Longstaffe, James G.; Simpson, Myrna J.; Maas, Werner E.; Fey, Michael; Andrew, Brian; Struppe, Jochem; Hutchins, Howard; Krishnamurthy, Sridevi; Kumar, Rajeev; Monette, Martine; Stronks, Henry J.; Hume, Alan; Simpson, André J.

    2012-04-01

    Heterogeneous samples, such as soils, sediments, plants, tissues, foods and organisms, often contain liquid-, gel- and solid-like phases and it is the synergism between these phases that determine their environmental and biological properties. Studying each phase separately can perturb the sample, removing important structural information such as chemical interactions at the gel-solid interface, kinetics across boundaries and conformation in the natural state. In order to overcome these limitations a Comprehensive Multiphase-Nuclear Magnetic Resonance (CMP-NMR) probe has been developed, and is introduced here, that permits all bonds in all phases to be studied and differentiated in whole unaltered natural samples. The CMP-NMR probe is built with high power circuitry, Magic Angle Spinning (MAS), is fitted with a lock channel, pulse field gradients, and is fully susceptibility matched. Consequently, this novel NMR probe has to cover all HR-MAS aspects without compromising power handling to permit the full range of solution-, gel- and solid-state experiments available today. Using this technology, both structures and interactions can be studied independently in each phase as well as transfer/interactions between phases within a heterogeneous sample. This paper outlines some basic experimental approaches using a model heterogeneous multiphase sample containing liquid-, gel- and solid-like components in water, yielding separate 1H and 13C spectra for the different phases. In addition, 19F performance is also addressed. To illustrate the capability of 19F NMR soil samples, containing two different contaminants, are used, demonstrating a preliminary, but real-world application of this technology. This novel NMR approach possesses a great potential for the in situ study of natural samples in their native state.

  7. Non-equilibrium nanosecond-pulsed plasma generation in the liquid phase (water, PDMS) without bubbles: fast imaging, spectroscopy and leader-type model

    NASA Astrophysics Data System (ADS)

    Dobrynin, Danil; Seepersad, Yohan; Pekker, Mikhail; Shneider, Mikhail; Friedman, Gary; Fridman, Alexander

    2013-03-01

    In this paper we report the results on study of the non-equilibrium nanosecond discharge generation in liquid media. Here we studied the discharge in both water and silicon transformer oil, and present our findings on discharge behaviour depending on global (applied) electric, discharge emission spectrum and shadow imaging of the discharge. We also discuss possible scenarios of non-equilibrium nanosecond discharge development and suggest that the discharge operates in a leader-type regime supported by the electrostriction effect—creation of nano-sized pores in liquid due to high local electric field.

  8. Equilibrium and volumetric data and model development of coal fluids

    SciTech Connect

    Robinson, R.L. Jr.; Gasem, K.A.M.; Park, J.

    1992-04-28

    The long term goal of our efforts is to develop accurate predictive methods for description of equilibrium phase properties for a variety of types of mixtures and operating conditions. The specific objectives of the work specified herein include: (1) development of an experimental facility having the capability to provide data on equilibrium phase compositions (solubilities) and liquid densities, and doing so with greater accuracy and speed than our previous facility, (2) measurement of equilibrium phase properties for systematically-selected mixtures-specifically those containing important solute gases (such as hydrogen, carbon monoxide, methane, ethane, carbonyl sulfide, ammonia) in a series of heavy paraffinic, naphthenic and aromatic solvents (e.g., n-decane, n-eicosane, n-octacosane, n-hexatriacontane, cyclohexane, Decalin, perhydrophenanthrene, perhydropyrene, benzene, naphthalene, phenanthrene, pyrene), (3) testing/development of correlation frameworks for representing the phase behavior of fluids of the type encountered in coal conversion processes, and (4) generalization of parameters in the correlation frameworks to enable accurate predictions for systems of the type studied, permitting predictions to be made for systems and conditions other than those for which experimental data are available.

  9. STOMP Subsurface Transport Over Multiple Phases Version 1.0 Addendum: ECKEChem Equilibrium-Conservation-Kinetic Equation Chemistry and Reactive Transport

    SciTech Connect

    White, Mark D.; McGrail, B. Peter

    2005-12-01

    flow and transport simulator, STOMP (Subsurface Transport Over Multiple Phases). Prior to these code development activities, the STOMP simulator included sequential and scalable implementations for numerically simulating the injection of supercritical CO2 into deep saline aquifers. Additionally, the sequential implementations included operational modes that considered nonisothermal conditions and kinetic dissolution of CO2 into the saline aqueous phase. This addendum documents the advancement of these numerical simulation capabilities to include reactive transport in the STOMP simulator through the inclusion of the recently PNNL developed batch geochemistry solution module ECKEChem (Equilibrium-Conservation-Kinetic Equation Chemistry). Potential geologic reservoirs for sequestering CO2 include deep saline aquifers, hydrate-bearing formations, depleted or partially depleted natural gas and petroleum reservoirs, and coal beds. The mechanisms for sequestering carbon dioxide in geologic reservoirs include physical trapping, dissolution in the reservoir fluids, hydraulic trapping (hysteretic entrapment of nonwetting fluids), and chemical reaction. This document and the associated code development and verification work are concerned with the chemistry of injecting CO2 into geologic reservoirs. As geologic sequestration of CO2 via chemical reaction, namely precipitation reactions, are most dominate in deep saline aquifers, the principal focus of this document is the numerical simulation of CO2 injection, migration, and geochemical reaction in deep saline aquifers. The ECKEChem batch chemistry module was developed in a fashion that would allow its implementation into all operational modes of the STOMP simulator, making it a more versatile chemistry component. Additionally, this approach allows for verification of the ECKEChem module against more classical reactive transport problems involving aqueous systems.

  10. A modeling and experimental study of flue gas desulfurization in a dense phase tower.

    PubMed

    Chang, Guanqin; Song, Cunyi; Wang, Li

    2011-05-15

    We used a dense phase tower as the reactor in a novel semi-dry flue gas desulfurization process to achieve a high desulfurization efficiency of over 95% when the Ca/S molar ratio reaches 1.3. Pilot-scale experiments were conducted for choosing the parameters of the full-scale reactor. Results show that with an increase in the flue gas flow rate the rate of the pressure drop in the dense phase tower also increases, however, the rate of the temperature drop decreases in the non-load hot gas. We chose a water flow rate of 0.6 kg/min to minimize the approach to adiabatic saturation temperature difference and maximize the desulfurization efficiency. To study the flue gas characteristics under different processing parameters, we simulated the desulfurization process in the reactor. The simulated data matched very well with the experimental data. We also found that with an increase in the Ca/S molar ratio, the differences between the simulation and experimental data tend to decrease; conversely, an increase in the flue gas flow rate increases the difference; this may be associated with the surface reactions caused by collision, coalescence and fragmentation between the dispersed phases. PMID:21377795

  11. Experimental and Numerical Simulations of Phase Transformations Occurring During Continuous Annealing of DP Steel Strips

    NASA Astrophysics Data System (ADS)

    Wrożyna, Andrzej; Pernach, Monika; Kuziak, Roman; Pietrzyk, Maciej

    2016-04-01

    Due to their exceptional strength properties combined with good workability the Advanced High-Strength Steels (AHSS) are commonly used in automotive industry. Manufacturing of these steels is a complex process which requires precise control of technological parameters during thermo-mechanical treatment. Design of these processes can be significantly improved by the numerical models of phase transformations. Evaluation of predictive capabilities of models, as far as their applicability in simulation of thermal cycles thermal cycles for AHSS is considered, was the objective of the paper. Two models were considered. The former was upgrade of the JMAK equation while the latter was an upgrade of the Leblond model. The models can be applied to any AHSS though the examples quoted in the paper refer to the Dual Phase (DP) steel. Three series of experimental simulations were performed. The first included various thermal cycles going beyond limitations of the continuous annealing lines. The objective was to validate models behavior in more complex cooling conditions. The second set of tests included experimental simulations of the thermal cycle characteristic for the continuous annealing lines. Capability of the models to describe properly phase transformations in this process was evaluated. The third set included data from the industrial continuous annealing line. Validation and verification of models confirmed their good predictive capabilities. Since it does not require application of the additivity rule, the upgrade of the Leblond model was selected as the better one for simulation of industrial processes in AHSS production.

  12. Three-phase flow in porous media: A review of experimental studies on relative permeability

    NASA Astrophysics Data System (ADS)

    Alizadeh, A. H.; Piri, M.

    2014-09-01

    We present a detailed, synthesized review of experimental studies on three-phase relative permeability published since 1980. We provide comprehensive, yet highly focused, analysis of critical aspects of the field and their evolution over the last three decades. In particular, we review the effects of saturation history, wettability, spreading, and layer drainage on the measured flow properties. We also list all the processes, rock types, fluid systems, and measurement techniques in order to provide a clear map for future studies. Behavior of the measured three-phase relative permeabilities with respect to fluid saturations, saturation histories, wettability of rock samples, spreading characteristics, interfacial tensions, and other pertinent properties are carefully discussed. Studies that use a diverse set of experimental techniques and data analysis to deduce relative permeability are included. The experimental techniques that should be utilized to reduce uncertainty are also explored. We interpret the measured properties and outcomes of different studies and compare them to substantiate distinct trends at various saturation ranges and provide ideas for new studies. This is intended to distill a clear image of where the field stands and to allow composition of possible paths for future investigations. The areas of critical relevance that have not been investigated or require further studies are highlighted.

  13. Experimental study of liquid-solid two phase flow over a step using PIV

    NASA Astrophysics Data System (ADS)

    Cando, E. H.; Luo, X. W.; Hidalgo, V. H.; Zhu, L.; Aguinaga, A. G.

    2016-05-01

    The present investigation focuses on the water-sand flow through a rectangular tunnel with a step using the Particle Image Velocimetry (PIV). Two cameras with appropriate optical filters have been used to capture each phase image separately. The optical filters were selected according to the optical properties of the sand and fluorescent tracers. Through data processing the experimental flow field such as the velocity profiles of sand and water had been obtained. In order to compare with the experiment, the steady state two phase flow fields were simulated using RANS method with k-ω SST turbulence model. It is noted that the numerical results matches the experimental results fairly good. Furthermore, the flow rates obtained from experimental and numerical velocity profiles also have a good match with the measurement by flow meter. The flow analysis shows that the water velocity variation induced by the presence of the step in the water-sand flow is equivalent to those cases with low sand concentration. However, the sand velocity in downstream region is 5% greater than the water velocity when the cross section is reduced in 25%.

  14. Experimental and numerical study of phase transition of LiFePO 4 material in lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Siddique, Md Noor E. Alam

    Phase transition behavior of LiFePO4 material has been studied in this work. During electrochemical charge/discharge processes, LiFePO 4 transforms into FePO4 and this electrochemically driven phase transition of the two-phase system results in a potential plateau in a battery discharge curve. Besides, battery performance, especially under high rates, depends critically on this two-phase transition. However, this phase transition mechanism in the LiFePO4 crystal structure has yet not been understood in details. Developing better understanding is essential for designing high performing, safe and stable batteries. Currently available phase transition models for LiFePO4, such as the classical `core-shrinking model' and recently the `domino cascade model', have shed lights on the phase transition mechanism, however, with somewhat contradicting conclusions. The former predicted a continuous phase transition between LiFePO4 and FePO4 within an individual particle. In contrast, the latter, based on the fact of anisotropic diffusion of Li, provided a microscopically heterogeneous picture of phase transition: phase transition is abrupt, and de-lithiated and lithiated particles co-exist in a battery electrode. To achieve a better understanding of the two-phase transition phenomena, two specially designed sophisticated methods, i.e., in-situ Raman spectroscopy and in-situ X-ray Diffraction (XRD), have been developed in this work. The particle level phase transition of LiFePO4 was probed in the in-situ Raman study. Under slow-rate discharge/charge, it was found that the particles were either fully transformed or untransformed indicating that the phase transition in LiFePO4 material was not uniform at the particle level. Electronic conductivity and local electrode microstructure determined the preferred sequence of phase transition of the particles. This study also revealed that non-equilibrium phase transition occurred as a result of delayed phase transition. The in-situ XRD

  15. Alternate formulation of enhanced backscattering as phase conjugation and diffraction: derivation and experimental observation

    PubMed Central

    Rogers, Jeremy D.; Stoyneva, Valentina; Turzhitsky, Vladimir; Mutyal, Nikhil N.; Pradhan, Prabhakar; Çapoğlu, İlker R.; Backman, Vadim

    2011-01-01

    Enhanced backscattering (EBS), also known as weak localization of light, is derived using the Huygens–Fresnel principle and backscattering is generally shown to be the sum of an incoherent baseline and a phase conjugated portion of the incident wave that forms EBS. The phase conjugated portion is truncated by an effective aperture described by the probability function P(s) of coherent path-pair separations. P(s) is determined by the scattering properties of the medium and so characterization of EBS can be used for metrology of scattering materials. A three dimensional intensity peak is predicted in free space at a point conjugate to the source and is experimentally observed. PMID:21716426

  16. Experimental evaluation of achromatic phase shifters for mid-infrared starlight suppression.

    PubMed

    Gappinger, Robert O; Diaz, Rosemary T; Ksendzov, Alexander; Lawson, Peter R; Lay, Oliver P; Liewer, Kurt M; Loya, Frank M; Martin, Stefan R; Serabyn, Eugene; Wallace, James K

    2009-02-10

    Phase shifters are a key component of nulling interferometry, one of the potential routes to enabling the measurement of faint exoplanet spectra. Here, three different achromatic phase shifters are evaluated experimentally in the mid-infrared, where such nulling interferometers may someday operate. The methods evaluated include the use of dispersive glasses, a through-focus field inversion, and field reversals on reflection from antisymmetric flat-mirror periscopes. All three approaches yielded deep, broadband, mid-infrared nulls, but the deepest broadband nulls were obtained with the periscope architecture. In the periscope system, average null depths of 4x10(-5) were obtained with a 25% bandwidth, and 2x10(-5) with a 20% bandwidth, at a central wavelength of 9.5 mum. The best short term nulls at 20% bandwidth were approximately 9x10(-6), in line with error budget predictions and the limits of the current generation of hardware. PMID:19209197

  17. Preliminary results of the large experimental wind turbine phase of the national wind energy program

    NASA Technical Reports Server (NTRS)

    Thomas, R. L.; Sholes, J. E.

    1975-01-01

    A major phase of the wind energy program is the development of reliable wind turbines for supplying cost-competitive electrical energy. This paper discusses the preliminary results of two projects in this phase of the program. First an experimental 100 kW wind turbine design and its status are reviewed. Also discussed are the results of two parallel design studies for determining the configurations and power levels for wind turbines with minimum energy costs. These studies show wind energy costs of 7 to 1.5 c/kWH for wind turbines produced in quantities of 100 to 1000 a year and located at sites having average winds of 12 to 18 mph.

  18. A comparison of phase change phenomena in CTH with experimental data

    SciTech Connect

    Hertel, E.S. Jr.; McIntosh, R.L.; Patterson, B.C.

    1993-12-31

    An estimate of the current state of the predictive capabilities of hydrocodes for impacts where phase changes may be important was made by simulating a series of experiments where zinc spheres impact thin zinc plates at 4 velocities. The experimental data was taken from Mullin, et al. and consisted of radiographs of the debris cloud and estimates of the momentum in the debris cloud along the velocity vector. The velocities ranged from 3.30 to 6.79 km/s indicating that the debris consists of solid/molten fragments to predominantly vapor phase material as the velocity increases. The simulations reveal that the CTH hydro can accurately predict the debris structure and momentum transfer for this class of impacts.

  19. Hydrogen-alkali exchange between silicate melts and two-phase aqueous mixtures: an experimental investigation

    NASA Astrophysics Data System (ADS)

    Williams, Thomas J.; Candela, Philip A.; Piccoli, Philip M.

    Experiments were performed in the three-phase system high-silica rhyolite melt + low-salinity aqueous vapor + hydrosaline brine, to investigate the exchange equilibria for hydrogen, potassium, and sodium in magmatic-hydrothermal systems at 800 °C and 100 MPa, and 850 °C and 50 MPa. The Kaqm/meltH,Na and Kaqm/meltH,K for hydrogen-sodium exchange between a vapor + brine mixture and a silicate melt are inversely proportional to the total chloride concentration (ΣCl) in the vapor + brine mixture indicating that HCl/NaCl and HCl/KCl are higher in the low-salinity aqueous vapor relative to high-salinity brine. The equilibrium constants for vapor/melt and brine/melt exchange were extracted from regressions of Kaqm/meltH,Na and Kaqm/meltH,K versus the proportion of aqueous vapor relative to brine in the aqueous mixture (Faqv) at P and T, expressed as a function of ΣCl. No significant pressure effect on the empirically determined exchange constants was observed for the range of pressures investigated. Model equilibrium constants are: Kaqv/meltH,Na(vapor/melt)=26(+/-1.3) at 100 MPa (800 °C), and 19( +/- 7.0) at 50 MPa (850 °C) Kaqv/meltH,K=14(+/-1.1) at 100 MPa (800 °C), and 24(+/-12) at 50 MPa (850 °C) Kaqb/meltH,b(brine/melt)= 1.6(+/-0.7) at 100 MPa (800 °C), and 3.9(+/-2.3) at 50 MPa (850 °C) and Kaqb/meltH,K=2.7(+/-1.2) at 100 MPa (800 °C) and 3.8(+/-2.3) at 50 MPa (850 °C). Values for Kaqv/meltH,K and Kaqb/meltH,K were used to calculate KCl/HCl in the aqueous vapor and brine as a function of melt aluminum saturation index (ASI: molar Al2O3/(K2O+Na2O+CaO) and pressure. The model log KCl/HCl values show that a change in melt ASI from peraluminous (ASI = 1.04) to moderately metaluminous (ASI = 1.01) shifts the cooling pathway (in temperature-log KCl/HCl space) of the aqueous vapor toward the andalusite+muscovite+K-feldspar reaction point.

  20. An electro-optic experimental study of an unusual liquid crystal phase transition

    NASA Astrophysics Data System (ADS)

    Staines, Daniel; Wicks, Derek; Havens, Austin; Fernsler, Jonathan

    2009-11-01

    Liquid crystal phases are highly sensitive to their surroundings and they interact with light in unusual ways: the index of refraction is different depending on the polarization of the incident light. This combination of properties makes them ideal for low-power liquid crystal displays (LCD's), ubiquitous in today's portable electronic devices. They are also beautiful: optical textures of liquid crystals show bright colors, with the color corresponding to the amount of retardation in the light polarized along different axes. These phases are fluid, but can nevertheless be highly ordered. We have developed a novel experimental analysis using a photometric calculation of microscopy images to perform a series of experiments on several liquid crystal materials, called ``de Vries'' smectics. Using this system, we examined how the structure of these phases changed under the influence of different boundary conditions, temperature, and applied electric fields. These unusual materials show the bizarre behavior of appearing to become less ordered with decreasing temperature. This phase, which is not fully understood, has advantageous optical properties that could lead to the next generation of liquid crystal displays.

  1. Experimental data showing the thermal behavior of a flat roof with phase change material.

    PubMed

    Tokuç, Ayça; Başaran, Tahsin; Yesügey, S Cengiz

    2015-12-01

    The selection and configuration of building materials for optimal energy efficiency in a building require some assumptions and models for the thermal behavior of the utilized materials. Although the models for many materials can be considered acceptable for simulation and calculation purposes, the work for modeling the real time behavior of phase change materials is still under development. The data given in this article shows the thermal behavior of a flat roof element with a phase change material (PCM) layer. The temperature and energy given to and taken from the building element are reported. In addition the solid-liquid behavior of the PCM is tracked through images. The resulting thermal behavior of the phase change material is discussed and simulated in [1] A. Tokuç, T. Başaran, S.C. Yesügey, An experimental and numerical investigation on the use of phase change materials in building elements: the case of a flat roof in Istanbul, Build. Energy, vol. 102, 2015, pp. 91-104. PMID:26629490

  2. Correlative theoretical and experimental investigation of the formation of AlYB14 and competing phases

    NASA Astrophysics Data System (ADS)

    Hunold, Oliver; Chen, Yen-Ting; Music, Denis; Persson, Per O. Å.; Primetzhofer, Daniel; to Baben, Moritz; Achenbach, Jan-Ole; Keuter, Philipp; Schneider, Jochen M.

    2016-02-01

    The phase formation in the boron-rich section of the Al-Y-B system has been explored by a correlative theoretical and experimental research approach. The structure of coatings deposited via high power pulsed magnetron sputtering from a compound target was studied using elastic recoil detection analysis, electron energy loss spectroscopy spectrum imaging, as well as X-ray and electron diffraction data. The formation of AlYB14 together with the (Y,Al)B6 impurity phase, containing 1.8 at. % less B than AlYB14, was observed at a growth temperature of 800 °C and hence 600 °C below the bulk synthesis temperature. Based on quantum mechanical calculations, we infer that minute compositional variations within the film may be responsible for the formation of both icosahedrally bonded AlYB14 and cubic (Y,Al)B6 phases. These findings are relevant for synthesis attempts of all boron rich icosahedrally bonded compounds with the space group: Imma that form ternary phases at similar compositions.

  3. Experimental data showing the thermal behavior of a flat roof with phase change material

    PubMed Central

    Tokuç, Ayça; Başaran, Tahsin; Yesügey, S. Cengiz

    2015-01-01

    The selection and configuration of building materials for optimal energy efficiency in a building require some assumptions and models for the thermal behavior of the utilized materials. Although the models for many materials can be considered acceptable for simulation and calculation purposes, the work for modeling the real time behavior of phase change materials is still under development. The data given in this article shows the thermal behavior of a flat roof element with a phase change material (PCM) layer. The temperature and energy given to and taken from the building element are reported. In addition the solid–liquid behavior of the PCM is tracked through images. The resulting thermal behavior of the phase change material is discussed and simulated in [1] A. Tokuç, T. Başaran, S.C. Yesügey, An experimental and numerical investigation on the use of phase change materials in building elements: the case of a flat roof in Istanbul, Build. Energy, vol. 102, 2015, pp. 91–104. PMID:26629490

  4. Experimental pressure-temperature phase diagram of boron: resolving the long-standing enigma

    PubMed Central

    Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Bykova, Elena; Wirth, Richard; Dubrovinsky, Leonid

    2011-01-01

    Boron, discovered as an element in 1808 and produced in pure form in 1909, has still remained the last elemental material, having stable natural isotopes, with the ground state crystal phase to be unknown. It has been a subject of long-standing controversy, if α-B or β-B is the thermodynamically stable phase at ambient pressure and temperature. In the present work this enigma has been resolved based on the α-B-to- β-B phase boundary line which we experimentally established in the pressure interval of ∼4 GPa to 8 GPa and linearly extrapolated down to ambient pressure. In a series of high pressure high temperature experiments we synthesised single crystals of the three boron phases (α-B, β-B, and γ-B) and provided evidence of higher thermodynamic stability of α-B. Our work opens a way for reproducible synthesis of α-boron, an optically transparent direct band gap semiconductor with very high hardness, thermal and chemical stability. PMID:22355614

  5. Experimental analysis of beam pointing system based on liquid crystal optical phase array

    NASA Astrophysics Data System (ADS)

    Shi, Yubin; Zhang, Jianmin; Zhang, Zhen

    2016-06-01

    In this paper, we propose and demonstrate an elementary non-mechanical beam aiming and steering system with a single liquid crystal optical phase array (LC-OPA) and charge-coupled device (CCD). With the conventional method of beam steering control, the LC-OPA device can realize one dimensional beam steering continuously. An improved beam steering strategy is applied to realize two dimensional beam steering with a single LC-OPA. The whole beam aiming and steering system, including an LC-OPA and a retroreflective target, is controlled by the monitor. We test the feasibility of beam steering strategy both in one dimension and in two dimension at first, then the whole system is build up based on the improved strategy. The experimental results show that the max experimental pointing error is 56 µrad, and the average pointing error of the system is 19 µrad.

  6. Controls-structures interaction guest investigator program: Overview and phase 1 experimental results and future plans

    NASA Technical Reports Server (NTRS)

    Smith-Taylor, Rudeen; Tanner, Sharon E.

    1993-01-01

    The NASA Controls-Structures Interaction (CSI) Guest Investigator program is described in terms of its support of the development of CSI technologies. The program is based on the introduction of CSI researchers from industry and academia to available test facilities for experimental validation of technologies and methods. Phase 1 experimental results are reviewed with attention given to their use of the Mini-MAST test facility and the facility for the Advance Control Evaluation of Structures. Experiments were conducted regarding the following topics: collocated/noncollocated controllers, nonlinear math modeling, controller design, passive/active suspension systems design, and system identification and fault isolation. The results demonstrate that significantly enhanced performance from the control techniques can be achieved by integrating knowledge of the structural dynamics under consideration into the approaches.

  7. Preliminary results of the large experimental wind turbine phase of the national wind energy program

    NASA Technical Reports Server (NTRS)

    Thomas, R. L.; Sholes, T.; Sholes, J. E.

    1975-01-01

    The preliminary results of two projects in the development phase of reliable wind turbines designed to supply cost-competitive electrical energy were discussed. An experimental 100 kW wind turbine design and its status are first reviewed. The results of two parallel design studies for determining the configurations and power levels for wind turbines with minimum energy costs are also discussed. These studies predict wind energy costs of 1.5 to 7 cents per kW-h for wind turbines produced in quantities of 100 to 1000 per year and located at sites having average winds of 12 to 18 mph.

  8. A three-phase series-parallel resonant converter -- analysis, design, simulation and experimental results

    SciTech Connect

    Bhat, A.K.S.; Zheng, L.

    1995-12-31

    A three-phase dc-to-dc series-parallel resonant converter is proposed and its operating modes for 180{degree} wide gating pulse scheme are explained. A detailed analysis of the converter using constant current model and Fourier series approach is presented. Based on the analysis, design curves are obtained and a design example of 1 kW converter is given. SPICE simulation results for the designed converter and experimental results for a 500 W converter are presented to verify the performance of the proposed converter for varying load conditions. The converter operates in lagging PF mode for the entire load range and requires a narrow variation in switching frequency.

  9. Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.

    PubMed

    Roux, María Victoria; Notario, Rafael; Foces-Foces, Concepción; Temprado, Manuel; Ros, Francisco; Emel'yanenko, Vladimir N; Verevkin, Sergey P

    2010-03-18

    This paper reports an experimental and computational thermochemical study on 5,5-dimethylbarbituric acid and the solid-phase structure of the compound. The value of the standard (p(o) = 0.1 MPa) molar enthalpy of formation in the gas phase at T = 298.15 K has been determined. The energy of combustion was measured by static bomb combustion calorimetry, and from the result obtained, the standard molar enthalpy of formation in the crystalline state at T = 298.15 K was calculated as -(706.4 +/- 2.2) kJ x mol(-1). The enthalpy of sublimation was determined using a transference (transpiration) method in a saturated NB(2) stream, and a value of the enthalpy of sublimation at T = 298.15 K was derived as (115.8 +/- 0.5) kJ x mol(-1). From these results a value of -(590.6 +/- 2.3) kJ x mol(-1) for the gas-phase enthalpy of formation at T = 298.15 K was determined. Theoretical calculations at the G3 level were performed, and a study on molecular and electronic structure of the compound has been carried out. Calculated enthalpies of formation are in reasonable agreement with the experimental value. 5,5-Dimethylbarbituric acid was characterized by single crystal X-ray diffraction analysis. In the crystal structure, N-H...O=C hydrogen bonds lead to the formation of ribbons connected further by weak C-H...O=C hydrogen bonds into a three-dimensional network. The molecular and supramolecular structures observed in the solid state were also investigated in the gas phase by DFT calculations. PMID:20180529

  10. A combined experimental-numerical approach for two-phase flow boiling in a minichannel

    NASA Astrophysics Data System (ADS)

    Hożejowska, Sylwia; Grabowski, Mirosław

    2016-03-01

    The paper addresses experimental and numerical modeling of the two-phase flows in an asymmetrically heated horizontal minichannel. Experimental measurements concerned flows of evaporating ethanol in a minichannel with rectangular cross section 1.8mm × 2 mm. In order to observe the flows, measuring system was designed and built. The system measured and recorded basic heat and flow parameters of flowing fluid, and the temperature of external surface of the heater by using infrared camera and recorded images of flow with high-speed camera. The second aim of the paper was to formulate appropriate flow boiling heat transfer model, which would minimises the use of experimentally determined constants. The procedure of calculating the temperature of the ethanol is coupled with concurrent process of determining the temperature distributions in the isolating foil and the heating surface. The two-dimensional temperature distributions in three subsequent domains were calculated with Trefftz method. Due to the Robin condition, heat transfer coefficient at the heating surface-ethanol interface was calculated based on the known temperature distributions of the foil and liquid. Additionally, the paper describes the relation between two sets of functions used in the calculation. Numerical calculations made by Trefftz method were performed with using experimental data.

  11. Phase Equilibrium Experiments on Potential Lunar Core Compositions: Extension of Current Knowledge to Multi-Component (Fe-Ni-Si-S-C) Systems

    NASA Technical Reports Server (NTRS)

    Righter, K.; Pando, K.; Danielson, L.

    2014-01-01

    Numerous geophysical and geochemical studies have suggested the existence of a small metallic lunar core, but the composition of that core is not known. Knowledge of the composition can have a large impact on the thermal evolution of the core, its possible early dynamo creation, and its overall size and fraction of solid and liquid. Thermal models predict that the current temperature at the core-mantle boundary of the Moon is near 1650 K. Re-evaluation of Apollo seismic data has highlighted the need for new data in a broader range of bulk core compositions in the PT range of the lunar core. Geochemical measurements have suggested a more volatile-rich Moon than previously thought. And GRAIL mission data may allow much better constraints on the physical nature of the lunar core. All of these factors have led us to determine new phase equilibria experimental studies in the Fe-Ni-S-C-Si system in the relevant PT range of the lunar core that will help constrain the composition of Moon's core.

  12. Equilibrium partial pressures, thermodynamic properties of aqueous and solid phases, and Cl{sub 2} production from aqueous HCl and HNO{sub 3} and their mixtures

    SciTech Connect

    Massucci, M.; Clegg, S.L.; Brimblecombe, P.

    1999-05-27

    Equilibrium total pressures have been measured above aqueous HNO{sub 3} and aqueous HCl using a capacitance manometer. Equilibrium partial pressures of the acids have also been determined, by mass spectrometry, from 274.8 to 234.6 K for both HCl solutions, and from 265.0 to 240.1 K for 15.73 mol kg{sup {minus}1} HNO{sub 3}. Results are generally consistent with model predictions, though with small systematic deviations for the total pressure measurements over aqueous HCl at about 220 K. Mixtures of HCl{minus}HNO{sub 3}{minus}H{sub 2}O composition yielded measured total pressures orders of magnitude greater than predicted for the gases H{sub 2}O, HNO{sub 3}, and HCl. Mass spectrometric determinations and equilibrium thermodynamic calculations suggest that Cl{sub 2} and NOCl were produced by the reaction: 4H{sup +}{sub aq} + NO{sub 3}{sup {minus}}{sub aq} + 3Cl{sup {minus}}{sub aq} {r_equilibrium} NOCl{sub aq} + Cl{sub 2(aq)} + 2H{sub 2}O{sub (1)}, which is known to occur in aqua regia. Calculations for aqueous solutions of stratospheric aerosol composition suggest, purely on equilibrium grounds, that the reaction could be a source of active chlorine in the stratosphere. The correlation of Clegg and Brimblecombe of the thermodynamic properties of aqueous HNO{sub 3} activities has been revised, and vapor pressure products assessed from literature studies. The activity product for the reaction HNO{sub 3}{center_dot}2H{sub 2}O{sub (cr)} {r_equilibrium} H{sup +}{sub (aq)} + NO{sub 3}{sup {minus}}{sub (aq)} + 2H{sub 2}O{sub (1)} has also been determined. The model of Carslaw et al. has been revised for the solubility of HBr in aqueous H{sub 2}SO{sub 4} to stratospheric temperatures.

  13. Experimental Determination of Mechanisms and Rates of Fe-Mg Exchange Between Spinel Grains Mediated by a Fluid Phase

    NASA Astrophysics Data System (ADS)

    Mueller, T.; Dohmen, R.; Chakraborty, S.

    2008-12-01

    The overall mechanism and kinetics of mineral reactions results from a complex interaction of several processes such as surface reaction kinetics, volume diffusion and net transfer. In order to quantify the kinetics of reactions involving multiple phases in multicomponent systems, it is necessary to understand and characterize the nature and rates of each of these processes. Most laboratory experiments up to now have focused on kinetics of reactions where the reactants and products are in direct physical contact with each other. However, there is abundant textural evidence in rocks that reactions occurred between mineral grains that are physically separated from each other, frequently mediated by a fluid phase. We have devised an experimental setup to study the mechanism and kinetics of such reactions in the laboratory. Polished single crystals of two spinels (synthetic MgAl2O4 and a natural spinel with 44 mol% Hercynite component), 2mm on a side, were placed in a gold capsule (length: 2cm, diameter: 4mm) separated from each other by a 5mm long tube of Au or alumina. The capsule was welded shut after adding distilled water (80-100μl). Such capsules were annealed (2 Kbar, 700-750°C, up to 21 hours) in hydrothermal cold seal vessels. After annealing the crystals were cleaned in an ultrasonic bath in order to rinse them of possible quench products. The surfaces were examined optically and near surface chemistry was determined using Rutherford Backscattering Spectroscopy (RBS). We observe time dependent changes in the morphology as well as the chemistry of the crystals, as follows: After short times, the surface of the Mg spinel shows scattered etch pits while terraces form on the Fe spinel. After longer anneals, the etch pits disappear and the surface of the Mg spinels appear polished. Surface compositions are found to be different, depending on whether a Au or alumina separator was used in the experiments. The Fe rich spinel composition remains unchanged whereas

  14. Liquid-vapor equilibrium in the 2-propanol-hexane system

    SciTech Connect

    Trokhin, V.E.; Nechaeva, G.Yu.; Semenov, V.A.

    1995-03-10

    Experimental results on the liquid-vapor phase equilibrium at 745 nm in the 2-propanol-hexane binary system have been presented. These data are necessary to determine the parameters of the azeotropic separation of excessive 2-propanol while obtaining trimethylisopropoxysilane. 6 refs., 1 fig., 1 tab.

  15. Experimental and Analytical Study of Lead-Bismuth-Water Direct Contact Boiling Two-Phase Flow

    NASA Astrophysics Data System (ADS)

    Novitrian; Dostal, Vaclav; Takahashi, Minoru

    The characteristics of lead-bismuth(Pb-Bi)-water boiling two-phase flow were investigated experimentally and analytically using a Pb-Bi-water direct contact boiling two-phase flow loop. Pb-Bi flow rates and void fraction were measured in a vertical circular tube at conditions of system pressure 7MPa, liquid metal temperature 460°C and injected water temperature 220°C. The drift-flux model with the assumption that bubble sizes were dependent on the fluid surface tension and the density ratio of Pb-Bi to steam-water mixture was chosen and modified by the best fit to the measured void fraction. Pb-Bi flow rates were analytically estimated using balance condition between buoyancy force and pressure losses, where the buoyancy force was calculated from void fraction estimated using the modified drift-flux model. The deviation of the analytical results of the flow rates from the experimental ones was less than 10%.

  16. Analytical and experimental studies of an optimum multisegment phased liner noise suppression concept

    NASA Technical Reports Server (NTRS)

    Sawdy, D. T.; Beckemeyer, R. J.; Patterson, J. D.

    1976-01-01

    Results are presented from detailed analytical studies made to define methods for obtaining improved multisegment lining performance by taking advantage of relative placement of each lining segment. Properly phased liner segments reflect and spatially redistribute the incident acoustic energy and thus provide additional attenuation. A mathematical model was developed for rectangular ducts with uniform mean flow. Segmented acoustic fields were represented by duct eigenfunction expansions, and mode-matching was used to ensure continuity of the total field. Parametric studies were performed to identify attenuation mechanisms and define preliminary liner configurations. An optimization procedure was used to determine optimum liner impedance values for a given total lining length, Mach number, and incident modal distribution. Optimal segmented liners are presented and it is shown that, provided the sound source is well-defined and flow environment is known, conventional infinite duct optimum attenuation rates can be improved. To confirm these results, an experimental program was conducted in a laboratory test facility. The measured data are presented in the form of analytical-experimental correlations. Excellent agreement between theory and experiment verifies and substantiates the analytical prediction techniques. The results indicate that phased liners may be of immediate benefit in the development of improved aircraft exhaust duct noise suppressors.

  17. Centrifugal slurry pump wear and hydraulic studies. Phase II report. Experimental studies

    SciTech Connect

    Mistry, D.; Cooper, P.; Biswas, C.; Sloteman, D.; Onuschak, A.

    1983-01-01

    This report describes the work performed by Ingersoll-Rand Research, Inc., under Phase II, Experimental Studies for the contract entitled, Centrifugal Slurry Pump Wear and Hydraulic Studies. This work was carried out for the US Department of Energy under Contract No. DE-AC-82PC50035. The basic development approach pursued this phase is presented, followed by a discussion on wear relationships. The analysis, which resulted in the development of a mathematical wear model relating pump life to some of the key design and operating parameters, is presented. The results, observations, and conclusions of the experimental investigation on small scale pumps that led to the selected design features for the prototype pump are discussed. The material investigation was performed at IRRI, ORNL and Battelle. The rationale for selecting the materials for testing, the test methods and apparatus used, and the results obtained are presented followed by a discussion on materials for a prototype pump. In addition, the prototype pump test facility description, as well as the related design and equipment details, are presented. 20 references, 53 figures, 13 tables.

  18. Numerical and Experimental Analysis on Inorganic Phase Change Material Usage in Construction

    NASA Astrophysics Data System (ADS)

    Muthuvel, S.; Saravanasankar, S.; Sudhakarapandian, R.; Muthukannan, M.

    2014-12-01

    This work demonstrates the significance of Phase Change Material (PCM) in the construction of working sheds and product storage magazines in fireworks industries to maintain less temperature variation by passive cooling. The inorganic PCM, namely Calcium Chloride Hexahydrate (CCH) is selected in this study. First, the performance of two models with inbuilt CCH was analysed, using computational fluid dynamics. A significant change in the variation of inner wall temperature was observed, particularly during the working hours. This is mainly due to passive cooling, where the heat transfer from the surroundings to the room is partially used for the phase change from solid to liquid. The experiment was carried out by constructing two models, one with PCM packed in hollow brick walls and roof, and the other one as a conventional construction. The experimental results show that the temperature of the room got significantly reduced up to 7 °C. The experimental analysis results had good agreement with the numerical analysis results, and this reveals the advantage of the PCM in the fireworks industry construction.

  19. Experimental analysis of time-phase-shift flow sensing based on a piezoelectric peristaltic micropump

    NASA Astrophysics Data System (ADS)

    Huang, Pao-Cheng; Wang, Min-Haw; Chen, Ming-Kun; Jang, Ling-Sheng

    2016-05-01

    Flow rate sensing is a critical issue for piezoelectric-based micropump systems. This paper describes experimental analysis of flow rate sensing in a peristaltic micropump system. Sensing can be integrated with such a pump using piezoelectric actuators based on the time-phase-shift (TPS) method. To do this, an evaluation-window is added on the falling edge of the driving pulse to help detect the flow velocity without affecting the flow rate. We fabricate a prototype piezoelectric peristaltic micropump with three chambers and three piezoelectric actuators. The middle actuator works not only as an actuator for driving fluid but also as a transducer for sensing flow rate. An evaluation-window is performed to ascertain the relationship between the flow rate and the phase shift of output-signal responses from the transducer. The experimental results show that the evaluation-window response of flow rates in a piezoelectric peristaltic micropump has rates of from 5.56‒33.36 μl s-1. The results are extended to propose a practical flow rate sensor, the design of which can be realized easily in the piezoelectric peristaltic micropump system for sensorless responses that can detect flow rate without any sensors or circuits. The proposed TPS method is real-time, integrated, fast, efficient, and suitable for flow rate detection in piezoelectric peristaltic micropumps.

  20. Experimental characterization of Polaroid ultrasonic sensors in single and phased array configuration

    NASA Astrophysics Data System (ADS)

    Cao, Alex; Borenstein, Johann

    2002-07-01

    Many mobile robots use Polaroid ultrasonic sensors for obstacle avoidance. This paper describes the experimental characterization of these sensors using a unique, fully automated testbed system. Using this testbed, we gathered large data sets of 5,000-16,000 data points in every experiment for characterization purposes; in a repeatable fashion and without human supervision. In the experimental characterization reported in this paper we focused on a comparison of the beamwidth of a single sonar with that of a dual sonar phased array. For the single sonar we found that flat walls trigger echo signals up to an angle of +/- 42 degree(s), which is well beyond the traditional assumed beamwidth of +/- 15 degree(s). We determined that these echoes result from the secondary and tertiary lobe of the well known multi-lobed propagation patterns of Polaroid ultrasonic sensors. In contrast, with the dual sonar phased array echo signals were triggered only up to beamwidths of 4-6 degree(s). The results in this paper were obtained for two test targets: a specular surface and a cylindrical object.

  1. Experimental Validation of a Neuro-Fuzzy Approach to Phasing the SIBOA Segmented Mirror Testbed

    NASA Technical Reports Server (NTRS)

    Olivier, Philip D.

    2002-01-01

    NASA is preparing to launch the Next Generation Space Telescope (NGST). This telescope will be larger than the Hubble Space Telescope, be launched on an Atlas missile rather than the Space Shuttle, have a segmented primary mirror, and be placed in a higher orbit. All these differences pose significant challenges. This effort addresses the challenge of aligning the segments of the primary mirror during the initial deployment. The segments need to piston values aligned to within one tenth of a wavelength. The present study considers using a neuro-fuzzy model of the Fraunhofer diffraction theory. The intention of the current study was to experimentally verify the algorithm derived earlier. The experimental study was to be performed on the SIBOA (Systematic Image Based Optical Alignment) test bed. Unfortunately the hardware/software for SIBOA was not ready by the end of the study period. We did succeed in capturing several images of two stacked segments with various relative phases. These images can be used to calibrate the algorithm for future implementation. This effort is a continuation of prior work. The basic effort involves developing a closed loop control algorithm to phase a segmented mirror test bed (SIBOA). The control algorithm is based on a neuro-fuzzy model of SIBOA and incorporates nonlinear observers built from observer banks. This effort involves implementing the algorithm on the SIBOA test bed.

  2. Time aspects of the European Complement to GPS: Continental and transatlantic experimental phases

    NASA Technical Reports Server (NTRS)

    Uhrich, Pierre J. M.; Juompan, B.; Tourde, R.; Brunet, M.; Dutrey, J.-F.

    1995-01-01

    The CNES project of a European Complement to GPS (CE-GPS) is conceived to fulfill the needs of Civil Aviation for a non-precise approach phase with GPS as sole navigation means. This generates two missions: a monitoring mission - alarm of failure - ,and a navigation mission - generating a GPS-like signal on board the geostationary satellites. The host satellites will be the Inmarsat constellation. The CE-GPS missions lead to some time requirements, mainly the accuracy of GPS time restitution and of monitoring clock synchronization. To demonstrate that the requirements of the CE-GPS could be achieved, including the time aspects, an experiment has been scheduled over the Last two years, using a part of the Inmarsat II F-2 payload and specially designed ground stations based on 10 channels GPS receivers. This paper presents a review of the results obtained during the continental phase of the CE-GPS experiment with two stations in France, along with some experimental results obtained during the transatlantic phase (three stations in France, French Guyana, and South Africa). It describes the synchronization of the monitoring clocks using the GPS Common-view or the C- to L-Band transponder of the Inmarsat satellite, with an estimated accuracy better than 10 ns (1 sigma).

  3. Significant Contribution of Mouse Mast Cell Protease 4 in Early Phases of Experimental Autoimmune Encephalomyelitis.

    PubMed

    Desbiens, Louisane; Lapointe, Catherine; Gharagozloo, Marjan; Mahmoud, Shaimaa; Pejler, Gunnar; Gris, Denis; D'Orléans-Juste, Pedro

    2016-01-01

    Experimental autoimmune encephalomyelitis (EAE) is a mouse model that reproduces cardinal signs of clinical, histopathological, and immunological features found in Multiple Sclerosis (MS). Mast cells are suggested to be involved in the main inflammatory phases occurring during EAE development, possibly by secreting several autacoids and proteases. Among the latter, the chymase mouse mast cell protease 4 (mMCP-4) can contribute to the inflammatory response by producing endothelin-1 (ET-1). The aim of this study was to determine the impact of mMCP-4 on acute inflammatory stages in EAE. C57BL/6 wild type (WT) or mMCP-4 knockout (KO) mice were immunized with MOG35-55 plus complete Freund's adjuvant followed by pertussis toxin. Immunized WT mice presented an initial acute phase characterized by progressive increases in clinical score, which were significantly reduced in mMCP-4 KO mice. In addition, higher levels of spinal myelin were found in mMCP-4 KO as compared with WT mice. Finally, whereas EAE triggered significant increases in brain levels of mMCP-4 mRNA and immunoreactive ET-1 in WT mice, the latter peptide was reduced to basal levels in mMCP-4 KO congeners. Together, the present study supports a role for mMCP-4 in the early inflammatory phases of the disease in a mouse model of MS. PMID:27610007

  4. Significant Contribution of Mouse Mast Cell Protease 4 in Early Phases of Experimental Autoimmune Encephalomyelitis

    PubMed Central

    Gharagozloo, Marjan; Mahmoud, Shaimaa; Gris, Denis

    2016-01-01

    Experimental autoimmune encephalomyelitis (EAE) is a mouse model that reproduces cardinal signs of clinical, histopathological, and immunological features found in Multiple Sclerosis (MS). Mast cells are suggested to be involved in the main inflammatory phases occurring during EAE development, possibly by secreting several autacoids and proteases. Among the latter, the chymase mouse mast cell protease 4 (mMCP-4) can contribute to the inflammatory response by producing endothelin-1 (ET-1). The aim of this study was to determine the impact of mMCP-4 on acute inflammatory stages in EAE. C57BL/6 wild type (WT) or mMCP-4 knockout (KO) mice were immunized with MOG35–55 plus complete Freund's adjuvant followed by pertussis toxin. Immunized WT mice presented an initial acute phase characterized by progressive increases in clinical score, which were significantly reduced in mMCP-4 KO mice. In addition, higher levels of spinal myelin were found in mMCP-4 KO as compared with WT mice. Finally, whereas EAE triggered significant increases in brain levels of mMCP-4 mRNA and immunoreactive ET-1 in WT mice, the latter peptide was reduced to basal levels in mMCP-4 KO congeners. Together, the present study supports a role for mMCP-4 in the early inflammatory phases of the disease in a mouse model of MS. PMID:27610007

  5. Automatic detection of endothelial cells in 3D angiogenic sprouts from experimental phase contrast images

    NASA Astrophysics Data System (ADS)

    Wang, MengMeng; Ong, Lee-Ling Sharon; Dauwels, Justin; Asada, H. Harry

    2015-03-01

    Cell migration studies in 3D environments become more popular, as cell behaviors in 3D are more similar to the behaviors of cells in a living organism (in vivo). We focus on the 3D angiogenic sprouting in microfluidic devices, where Endothelial Cells (ECs) burrow into the gel matrix and form solid lumen vessels. Phase contrast microscopy is used for long-term observation of the unlabeled ECs in the 3D microfluidic devices. Two template matching based approaches are proposed to automatically detect the unlabeled ECs in the angiogenic sprouts from the acquired experimental phase contrast images. Cell and non-cell templates are obtained from these phase contrast images as the training data. The first approach applies Partial Least Square Regression (PLSR) to find the discriminative features and their corresponding weight to distinguish cells and non-cells, whereas the second approach relies on Principal Component Analysis (PCA) to reduce the template feature dimension and Support Vector Machine (SVM) to find their corresponding weight. Through a sliding window manner, the cells in the test images are detected. We then validate the detection accuracy by comparing the results with the same images acquired with a confocal microscope after cells are fixed and their nuclei are stained. More accurate numerical results are obtained for approach I (PLSR) compared to approach II (PCA & SVM) for cell detection. Automatic cell detection will aid in the understanding of cell migration in 3D environment and in turn result in a better understanding of angiogenesis.

  6. UNCERTAINTY IN PHASE ARRIVAL TIME PICKS FOR REGIONAL SEISMIC EVENTS: AN EXPERIMENTAL DESIGN

    SciTech Connect

    A. VELASCO; ET AL

    2001-02-01

    The detection and timing of seismic arrivals play a critical role in the ability to locate seismic events, especially at low magnitude. Errors can occur with the determination of the timing of the arrivals, whether these errors are made by automated processing or by an analyst. One of the major obstacles encountered in properly estimating travel-time picking error is the lack of a clear and comprehensive discussion of all of the factors that influence phase picks. This report discusses possible factors that need to be modeled to properly study phase arrival time picking errors. We have developed a multivariate statistical model, experimental design, and analysis strategy that can be used in this study. We have embedded a general form of the International Data Center(IDC)/U.S. National Data Center (USNDC) phase pick measurement error model into our statistical model. We can use this statistical model to optimally calibrate a picking error model to regional data. A follow-on report will present the results of this analysis plan applied to an implementation of an experiment/data-gathering task.

  7. Selective depletion of Foxp3+ Treg during sensitization phase aggravates experimental allergic airway inflammation.

    PubMed

    Baru, Abdul Mannan; Hartl, Andrea; Lahl, Katharina; Krishnaswamy, Jayendra Kumar; Fehrenbach, Heinz; Yildirim, Ali O; Garn, Holger; Renz, Harald; Behrens, Georg M N; Sparwasser, Tim

    2010-08-01

    Recent studies highlight the role of Treg in preventing unnecessary responses to allergens and maintaining functional immune tolerance in the lung. We investigated the role of Treg during the sensitization phase in a murine model of experimental allergic airway inflammation by selectively depleting the Treg population in vivo. DEpletion of REGulatory T cells (DEREG) mice were depleted of Treg by diphtheria toxin injection. Allergic airway inflammation was induced using OVA as a model allergen. Pathology was assessed by scoring for differential cellular infiltration in bronchoalveolar lavage, IgE and IgG1 levels in serum, cytokine secretion analysis of lymphocytes from lung draining lymph nodes and lung histology. Use of DEREG mice allowed us for the first time to track and specifically deplete both CD25(+) and CD25(-) Foxp3(+) Treg, and to analyze their significance in limiting pathology in allergic airway inflammation. We observed that depletion of Treg during the priming phase of an active immune response led to a dramatic exacerbation of allergic airway inflammation in mice, suggesting an essential role played by Treg in regulating immune responses against allergens as early as the sensitization phase via maintenance of functional tolerance. PMID:20544727

  8. Crystal growth of pure substances: Phase-field simulations in comparison with analytical and experimental results

    NASA Astrophysics Data System (ADS)

    Nestler, B.; Danilov, D.; Galenko, P.

    2005-07-01

    A phase-field model for non-isothermal solidification in multicomponent systems [SIAM J. Appl. Math. 64 (3) (2004) 775-799] consistent with the formalism of classic irreversible thermodynamics is used for numerical simulations of crystal growth in a pure material. The relation of this approach to the phase-field model by Bragard et al. [Interface Science 10 (2-3) (2002) 121-136] is discussed. 2D and 3D simulations of dendritic structures are compared with the analytical predictions of the Brener theory [Journal of Crystal Growth 99 (1990) 165-170] and with recent experimental measurements of solidification in pure nickel [Proceedings of the TMS Annual Meeting, March 14-18, 2004, pp. 277-288; European Physical Journal B, submitted for publication]. 3D morphology transitions are obtained for variations in surface energy and kinetic anisotropies at different undercoolings. In computations, we investigate the convergence behaviour of a standard phase-field model and of its thin interface extension at different undercoolings and at different ratios between the diffuse interface thickness and the atomistic capillary length. The influence of the grid anisotropy is accurately analyzed for a finite difference method and for an adaptive finite element method in comparison.

  9. Computational/Experimental Aeroheating Predictions for X-33. Phase 2; Vehicle

    NASA Technical Reports Server (NTRS)

    Hamilton, H. Harris, II; Weilmuenster, K. James; Horvath, Thomas J.; Berry, Scott A.

    1998-01-01

    Laminar and turbulent heating-rate calculations from an "engineering" code and laminar calculations from a "benchmark" Navier-Stokes code are compared with experimental wind-tunnel data obtained on several candidate configurations for the X-33 Phase 2 flight vehicle. The experimental data were obtained at a Mach number of 6 and a freestream Reynolds number ranging from 1 to 8 x 10(exp 6)/ft. Comparisons are presented along the windward symmetry plane and in a circumferential direction around the body at several axial stations at angles of attack from 20 to 40 deg. The experimental results include both laminar and turbulent flow. For the highest angle of attack some of the measured heating data exhibited a "non-laminar" behavior which caused the heating to increase above the laminar level long before "classical" transition to turbulent flow was observed. This trend was not observed at the lower angles of attack. When the flow was laminar, both codes predicted the heating along the windward symmetry plane reasonably well but under-predicted the heating in the chine region. When the flow was turbulent the LATCH code accurately predicted the measured heating rates. Both codes were used to calculate heating rates over the X-33 vehicle at the peak heating point on the design trajectory and they were found to be in very good agreement over most of the vehicle windward surface.

  10. Experimental study of seismic vibration effect on two-phase flow

    NASA Astrophysics Data System (ADS)

    Chen, Shao-Wen

    This study is to investigate the seismic vibration effects on two-phase flow. Based on the seismic characteristics found in literature, the properties for designing a test facility to simulate vibration and the test conditions for adiabatic and diabatic (subcooled boiling) two-phase flows have been chosen. In order to perform this experiment, an annulus test section has been built and attached to a vibration module. For experimental investigation and visualization of two-phase flow, Pyrex-glass tubes have been utilized as a transparent test section and stainless steel instrumentation ports are designed to acquire experimental data. In the design process, calculations considering the resonance, natural frequency, structural deflection, material properties and vibration conditions for the vibration structure have been performed to choose a suitable vibration beam. The motion equations of the eccentric cam are also analyzed with respect to displacement (vibration amplitude), velocity and acceleration. Each design process is set for the goal of an economical, reliable and controllable vibration condition for the two-phase flow test section. In addition, the scaling laws for geometric similarity, hydrodynamic similarity and thermal similarity are taken into account for the annulus test section to simulate a fuel assembly sub-channel of a prototypic boiling water reactor (BWR). Potential hydrodynamic and thermal effects for two-phase flow under seismic vibration are broken down and analyzed in detail. Based on the 1-D drift-flux model, the hydrodynamics effects are discussed with respect to the possible variations of distribution parameters, C0, and drift velocity, <<νgj>>, caused by the changes of the void distribution, bubble diameter and flow regimes. Sensitivity studies are carried out for analyzing these potential hydrodynamic effects. In addition, the void generation relations in a diabatic (subcooled boiling) two-phase flow system are taken into account for

  11. Experimental technique for studying high-temperature phase equilibria in reactive molten metal based systems

    NASA Astrophysics Data System (ADS)

    Ermoline, Alexandre

    The general objective of this work is to develop an experimental technique for studying the high-temperature phase compositions and phase equilibria in molten metal-based binary and ternary systems, such as Zr-O-N, B-N-O, Al-O, and others. A specific material system of Zr-O-N was selected for studying and testing this technique. The information about the high-temperature phase equilibria in reactive metal-based systems is scarce and their studying is difficult because of chemical reactions occurring between samples and essentially any container materials, and causing contamination of the system. Containerless microgravity experiments for studying equilibria in molten metal-gas systems were designed to be conducted onboard of a NASA KC-135 aircraft flying parabolic trajectories. A uniaxial apparatus suitable for acoustic levitation, laser heating, and splat quenching of small samples was developed and equipped with computer-based controller and optical diagnostics. Normal-gravity tests were conducted to determine the most suitable operating parameters of the levitator by direct observations of the levitated samples, as opposed to more traditional pressure mapping of the acoustic field. The size range of samples that could be reliably heated and quenched in this setup was determined to be on the order of 1--3 mm. In microgravity experiments, small spherical specimens (1--2 mm diameter), prepared as pressed, premixed solid components, ZrO2, ZrN, and Zr powders, were acoustically levitated inside an argon-filled chamber at one atmosphere and heated by a CO2 laser. The levitating samples could be continuously laser heated for about 1 sec, resulting in local sample melting. The sample stability in the vertical direction was undisturbed by simultaneous laser heating. Oscillations of the levitating sample in the horizontal direction increased while it was heated, which eventually resulted in the movement of the sample away from its stable levitation position and the laser

  12. Thermodynamics and Kinetics of Chemical Equilibrium in Solution.

    ERIC Educational Resources Information Center

    Leenson, I. A.

    1986-01-01

    Discusses theory of thermodynamics of the equilibrium in solution and dissociation-dimerization kinetics. Describes experimental procedure including determination of molar absorptivity and equilibrium constant, reaction enthalpy, and kinetics of the dissociation-dimerization reaction. (JM)

  13. Experimental study on the performance characteristics of an enhanced two-phase loop thermosyphon

    NASA Astrophysics Data System (ADS)

    Ziapour, Behrooz M.; Baygan, Majid; Mohammadnia, Ali

    2015-10-01

    A two-phase loop thermosyphon (TPLT) is an apparatus for heat transmission from the hot section of system (evaporator) to the cold part (condenser), with relatively small temperature differences. The setup used in this study consists of a TPLT, including evaporator, riser, an advanced condenser and downcomer. The condenser inlet has a nozzle. The steam rises from evaporator, flows through the nozzle and sprays on a vertical copper surface inside the condenser. To cool the copper sheet, then a cooler system was installed rear of it. The experimental tests were performed for presence of the nozzle and without it. The results showed that the TPLT efficiency increases for the modified condenser using nozzle. Also, the overall heat transfer coefficient of TPLT is enhanced by the nozzle. In the case of the nozzle with distance of 13 mm from copper sheet, and T e, sat > 55 °C, the value of suddenly increased.

  14. The Langley Research Center CSI phase-0 evolutionary model testbed-design and experimental results

    NASA Technical Reports Server (NTRS)

    Belvin, W. K.; Horta, Lucas G.; Elliott, K. B.

    1991-01-01

    A testbed for the development of Controls Structures Interaction (CSI) technology is described. The design philosophy, capabilities, and early experimental results are presented to introduce some of the ongoing CSI research at NASA-Langley. The testbed, referred to as the Phase 0 version of the CSI Evolutionary model (CEM), is the first stage of model complexity designed to show the benefits of CSI technology and to identify weaknesses in current capabilities. Early closed loop test results have shown non-model based controllers can provide an order of magnitude increase in damping in the first few flexible vibration modes. Model based controllers for higher performance will need to be robust to model uncertainty as verified by System ID tests. Data are presented that show finite element model predictions of frequency differ from those obtained from tests. Plans are also presented for evolution of the CEM to study integrated controller and structure design as well as multiple payload dynamics.

  15. Experimental signatures of a nonequilibrium phase transition governing the yielding of a soft glass

    NASA Astrophysics Data System (ADS)

    Hima Nagamanasa, K.; Gokhale, Shreyas; Sood, A. K.; Ganapathy, Rajesh

    2014-06-01

    We present direct experimental signatures of a nonequilibrium phase transition associated with the yield point of a prototypical soft solid—a binary colloidal glass. By simultaneously quantifying single-particle dynamics and bulk mechanical response, we identified the threshold for the onset of irreversibility with the yield strain. We extracted the relaxation time from the transient behavior of the loss modulus and found that it diverges in the vicinity of the yield strain. This critical slowing down is accompanied by a growing correlation length associated with the size of regions of high Debye-Waller factor, which are precursors to yield events in glasses. Our results affirm that the paradigm of nonequilibrium critical phenomena is instrumental in achieving a holistic understanding of yielding in soft solids.

  16. Experimental validation of an 8 element EMAT phased array probe for longitudinal wave generation

    NASA Astrophysics Data System (ADS)

    Le Bourdais, Florian; Marchand, Benoit

    2015-03-01

    Sodium cooled Fast Reactors (SFR) use liquid sodium as a coolant. Liquid sodium being opaque, optical techniques cannot be applied to reactor vessel inspection. This makes it necessary to develop alternative ways of assessing the state of the structures immersed in the medium. Ultrasonic pressure waves are well suited for inspection tasks in this environment, especially using pulsed electromagnetic acoustic transducers (EMAT) that generate the ultrasound directly in the liquid sodium. The work carried out at CEA LIST is aimed at developing phased array EMAT probes conditioned for reactor use. The present work focuses on the experimental validation of a newly manufactured 8 element probe which was designed for beam forming imaging in a liquid sodium environment. A parametric study is carried out to determine the optimal setup of the magnetic assembly used in this probe. First laboratory tests on an aluminium block show that the probe has the required beam steering capabilities.

  17. Experimental study on bi-phase flow Air-Oil in Water Emulsion

    NASA Astrophysics Data System (ADS)

    Arnone, Davide; Poesio, Pietro

    2015-11-01

    Bi-phase slug flow oil-in-water emulsion [5%-20%] and air through a horizontal pipe (inner diameter 22mm) is experimentally studied. A test with water and air has been performed as comparison. First we create and analyze the flow pattern map to identify slug flow liquid and air inlet conditions. Flow maps are similar for all the used liquid. A video analysis procedure using an high speed camera has been created to obtain all the characteristics of unit slugs: slug velocity, slug length, bubble velocity, bubbles length and slug frequency. We compare translational velocity and frequency with models finding a good agreement. We calculate the pdfs of the lengths to find the correlations between mean values and STD on different air and liquid superficial velocities. We also perform pressure measurements along the pipe. We conclude that the percentage of oil-in- water has no influence on results in terms of velocity, lengths, frequency and pressure drop.

  18. A three-phase series-parallel resonant converter -- analysis, design, simulation, and experimental results

    SciTech Connect

    Bhat, A.K.S.; Zheng, R.L.

    1996-07-01

    A three-phase dc-to-dc series-parallel resonant converter is proposed /and its operating modes for a 180{degree} wide gating pulse scheme are explained. A detailed analysis of the converter using a constant current model and the Fourier series approach is presented. Based on the analysis, design curves are obtained and a design example of a 1-kW converter is given. SPICE simulation results for the designed converter and experimental results for a 500-W converter are presented to verify the performance of the proposed converter for varying load conditions. The converter operates in lagging power factor (PF) mode for the entire load range and requires a narrow variation in switching frequency, to adequately regulate the output power.

  19. Experimental Passive Round-Robin Differential Phase-Shift Quantum Key Distribution

    NASA Astrophysics Data System (ADS)

    Guan, Jian-Yu; Cao, Zhu; Liu, Yang; Shen-Tu, Guo-Liang; Pelc, Jason S.; Fejer, M. M.; Peng, Cheng-Zhi; Ma, Xiongfeng; Zhang, Qiang; Pan, Jian-Wei

    2015-05-01

    In quantum key distribution (QKD), the bit error rate is used to estimate the information leakage and hence determines the amount of privacy amplification—making the final key private by shortening the key. In general, there exists a threshold of the error rate for each scheme, above which no secure key can be generated. This threshold puts a restriction on the environment noises. For example, a widely used QKD protocol, the Bennett-Brassard protocol, cannot tolerate error rates beyond 25%. A new protocol, round-robin differential phase-shifted (RRDPS) QKD, essentially removes this restriction and can in principle tolerate more environment disturbance. Here, we propose and experimentally demonstrate a passive RRDPS QKD scheme. In particular, our 500 MHz passive RRDPS QKD system is able to generate a secure key over 50 km with a bit error rate as high as 29%. This scheme should find its applications in noisy environment conditions.

  20. Experimental demonstration of quantum digital signatures using phase-encoded coherent states of light

    PubMed Central

    Clarke, Patrick J.; Collins, Robert J.; Dunjko, Vedran; Andersson, Erika; Jeffers, John; Buller, Gerald S.

    2012-01-01

    Digital signatures are frequently used in data transfer to prevent impersonation, repudiation and message tampering. Currently used classical digital signature schemes rely on public key encryption techniques, where the complexity of so-called ‘one-way' mathematical functions is used to provide security over sufficiently long timescales. No mathematical proofs are known for the long-term security of such techniques. Quantum digital signatures offer a means of sending a message, which cannot be forged or repudiated, with security verified by information-theoretical limits and quantum mechanics. Here we demonstrate an experimental system, which distributes quantum signatures from one sender to two receivers and enables message sending ensured against forging and repudiation. Additionally, we analyse the security of the system in some typical scenarios. Our system is based on the interference of phase-encoded coherent states of light and our implementation utilizes polarization-maintaining optical fibre and photons with a wavelength of 850 nm. PMID:23132024

  1. Experimental instrumentation system for the Phased Array Mirror Extendible Large Aperture (PAMELA) test program

    NASA Technical Reports Server (NTRS)

    Boykin, William H., Jr.

    1993-01-01

    Adaptive optics are used in telescopes for both viewing objects with minimum distortion and for transmitting laser beams with minimum beam divergence and dance. In order to test concepts on a smaller scale, NASA MSFC is in the process of setting up an adaptive optics test facility with precision (fraction of wavelengths) measurement equipment. The initial system under test is the adaptive optical telescope called PAMELA (Phased Array Mirror Extendible Large Aperture). Goals of this test are: assessment of test hardware specifications for PAMELA application and the determination of the sensitivities of instruments for measuring PAMELA (and other adaptive optical telescopes) imperfections; evaluation of the PAMELA system integration effort and test progress and recommended actions to enhance these activities; and development of concepts and prototypes of experimental apparatuses for PAMELA.

  2. Experimental implementation of a nonlinear beamsplitter based on a phase-sensitive parametric amplifier

    NASA Astrophysics Data System (ADS)

    Fang, Yami; Feng, Jingliang; Cao, Leiming; Wang, Yaxian; Jing, Jietai

    2016-03-01

    Beamsplitters have played an important role in quantum optics experiments. They are often used to split and combine two beams, especially in the construct of an interferometer. In this letter, we experimentally implement a nonlinear beamsplitter using a phase-sensitive parametric amplifier, which is based on four-wave mixing in hot rubidium vapor. Here we show that, despite the different frequencies of the two input beams, the output ports of the nonlinear beamsplitter exhibit interference phenomena. We make measurements of the interference fringe visibility and study how various parameters, such as the intensity gain of the amplifier, the intensity ratio of the two input beams, and the one and two photon detunings, affect the behavior of the nonlinear beamsplitter. It may find potential applications in quantum metrology and quantum information processing.

  3. Experimental validation of an 8 element EMAT phased array probe for longitudinal wave generation

    SciTech Connect

    Le Bourdais, Florian Marchand, Benoit

    2015-03-31

    Sodium cooled Fast Reactors (SFR) use liquid sodium as a coolant. Liquid sodium being opaque, optical techniques cannot be applied to reactor vessel inspection. This makes it necessary to develop alternative ways of assessing the state of the structures immersed in the medium. Ultrasonic pressure waves are well suited for inspection tasks in this environment, especially using pulsed electromagnetic acoustic transducers (EMAT) that generate the ultrasound directly in the liquid sodium. The work carried out at CEA LIST is aimed at developing phased array EMAT probes conditioned for reactor use. The present work focuses on the experimental validation of a newly manufactured 8 element probe which was designed for beam forming imaging in a liquid sodium environment. A parametric study is carried out to determine the optimal setup of the magnetic assembly used in this probe. First laboratory tests on an aluminium block show that the probe has the required beam steering capabilities.

  4. Experimental research of phase transition's kinetics in a liquid melt of high-purity aluminum

    NASA Astrophysics Data System (ADS)

    Vorontsov, V. B.; Zhuravlev, D. V.; Cherepanov, A. S.

    2015-08-01

    This scientific work is devoted to the studying of the genetic connection structures of solid and liquid phases. Fourier analysis of signals of acoustic emission (AE) accompanying melting high purity aluminum from the melting point up to t = 860°C was performed. Based on the results of previous studies cluster formations in the melt - the micro-regions, those retain crystallinity (areas with short-range order of symmetry) were considered as the source of AE. The experimental data allowed to follow the dynamics of disorder zones range order in the melt with increasing melt temperature up to their complete destruction. The presented results of spectral analysis of the signals were analyzed from the standpoint of the theory of cluster melting metals.

  5. Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

    SciTech Connect

    Roldin, P.; Eriksson, A. C.; Nordin, E. Z.; Hermansson, E.; Mogensen, Ditte; Rusanen, A.; Boy, Michael; Swietlicki, E.; Svenningsson, Birgitta; Zelenyuk, Alla; Pagels, J.

    2014-08-11

    We have developed the novel Aerosol Dynamics, gas- and particle- phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: 1) the mass transfer limited uptake of ammonia (NH3) and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), 2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and 3) the influence of chamber wall effects on the observed SOA formation in smog chambers.

  6. Tuning universality far from equilibrium

    PubMed Central

    Karl, Markus; Nowak, Boris; Gasenzer, Thomas

    2013-01-01

    Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling exponents controlled by the ratio of experimentally tuneable coupling parameters offer themselves as natural smoking guns. The results shed light on the wealth of universal phenomena expected to exist in the far-from-equilibrium realm. PMID:23928853

  7. Experimental study of nanofluidics and phase transitions of normal and superfluid 4He

    NASA Astrophysics Data System (ADS)

    Velasco, Angel Enriques

    This thesis addresses the experimental results of two different research topics. The first is the experimental work of pressure driven flows in the smallest, single nanotubes ever investigated. The nanotube boundary conditions and slip lengths from argon, nitrogen, water, and helium experiments were analyzed and compared to macroscopic boundary conditions. The second research topic discusses the work on ellipsometric and quartz microbalance measurements of the 2D superfluid phase diagram of 4He on alkali substrates. Ellipsometric results of sodium on HOPG provide the first evidence of the existence of the 2D critical point on an intermediate strength substrate. Pressure driven flows through single nanopores and microtubes were measured with a calibrated mass spectrometer with pressure drops up to 30 Atm. The nanopores were between 30 nm to 600 nm in diameter and etched in mica and PET membranes of several microns thickness. Microtubes several inches long of fused quartz and nickel material were tested with diameters between 1.8 micron and 25 micron. For 4He and argon gas we observed the flow transition between the free molecular and continuum regimes at 293 K and 77 K. No discrepancy between the macroscopic theory and the 30 nm nanopore data was found. Because of the exceptionally low viscosity of gaseous helium the laminar-turbulent transition could also be observed within these submicron channels. The small viscosity of 4He was too small to dampen inertial effects at a Reynolds number of 2000. In addition to single phase gas flows, our experimental technique also allows us to investigate flows in which the nano or micro scale pipe is either partially or completely filled with liquids. The position of the intrinsic liquid/vapor interface was important for understanding this type of flow. Strong evaporation and cooling at the liquid-vapor interface can lead to freezing for conventional fluids such as nitrogen and water, which in turn leads to complex intermittent

  8. Anchoring the Gas-Phase Acidity Scale from Hydrogen Sulfide to Pyrrole. Experimental Bond Dissociation Energies of Nitromethane, Ethanethiol, and Cyclopentadiene.

    PubMed

    Ervin, Kent M; Nickel, Alex A; Lanorio, Jerry G; Ghale, Surja B

    2015-07-16

    A meta-analysis of experimental information from a variety of sources is combined with statistical thermodynamics calculations to refine the gas-phase acidity scale from hydrogen sulfide to pyrrole. The absolute acidities of hydrogen sulfide, methanethiol, and pyrrole are evaluated from literature R-H bond energies and radical electron affinities to anchor the scale. Relative acidities from proton-transfer equilibrium experiments are used in a local thermochemical network optimized by least-squares analysis to obtain absolute acidities of 14 additional acids in the region. Thermal enthalpy and entropy corrections are applied using molecular parameters from density functional theory, with explicit calculation of hindered rotor energy levels for torsional modes. The analysis reduces the uncertainties of the absolute acidities of the 14 acids to within ±1.2 to ±3.3 kJ/mol, expressed as estimates of the 95% confidence level. The experimental gas-phase acidities are compared with calculations, with generally good agreement. For nitromethane, ethanethiol, and cyclopentadiene, the refined acidities can be combined with electron affinities of the corresponding radicals from photoelectron spectroscopy to obtain improved values of the C-H or S-H bond dissociation energies, yielding D298(H-CH2NO2) = 423.5 ± 2.2 kJ mol(-1), D298(C2H5S-H) = 364.7 ± 2.2 kJ mol(-1), and D298(C5H5-H) = 347.4 ± 2.2 kJ mol(-1). These values represent the best-available experimental bond dissociation energies for these species. PMID:25549109

  9. Standard free energy of the equilibrium between the trans-monomer and the cyclic-dimer of acetic acid in the gas phase from infrared spectroscopy.

    PubMed

    Goubet, Manuel; Soulard, Pascale; Pirali, Olivier; Asselin, Pierre; Réal, Florent; Gruet, Sébastien; Huet, Thérèse R; Roy, Pascale; Georges, Robert

    2015-03-21

    Survey jet-cooled spectra of acetic acid have been recorded in the infrared region (200-4000 cm(-1)) over a wide range of expansion conditions. From the variations of the relative intensities of the signals, vibrational transitions have been assigned unambiguously to the trans-monomer and cyclic-dimer. The IR-active fundamental frequencies have been determined at the instrumental accuracy of 0.5 cm(-1). This analysis of the jet-cooled spectra supported by electronic structure calculations permitted us to characterize the trans-monomer/cyclic-dimer equilibrium. From static cell spectra at 298 K, variations of the molar fractions ratio as a function of the total pressure were used to estimate the equilibrium constant and the Gibbs free energy of dimerization at 298 K. The very good agreement with the literature data shows that the present method is able to produce, from a single study, a free energy value as reliable as the one obtained from a large collection of data. In addition, the semi-empirical free energy value was used to estimate the accuracy of electronic structure calculations and in turn the accuracy of the derived useful information such as the dissociation energy of the complex (i.e. the strength of the hydrogen bonds) or the relative energies within the conformational landscape. PMID:25704312

  10. Non-equilibrium diffusion combustion of a fuel droplet

    NASA Astrophysics Data System (ADS)

    Tyurenkova, Veronika V.

    2012-06-01

    A mathematical model for the non-equilibrium combustion of droplets in rocket engines is developed. This model allows to determine the divergence of combustion rate for the equilibrium and non-equilibrium model. Criterion for droplet combustion deviation from equilibrium is introduced. It grows decreasing droplet radius, accommodation coefficient, temperature and decreases on decreasing diffusion coefficient. Also divergence from equilibrium increases on reduction of droplet radius. Droplet burning time essentially increases under non-equilibrium conditions. Comparison of theoretical and experimental data shows that to have adequate solution for small droplets it is necessary to use the non-equilibrium model.

  11. Grating-based phase contrast tomosynthesis imaging: Proof-of-concept experimental studies

    SciTech Connect

    Li, Ke; Ge, Yongshuai; Garrett, John; Bevins, Nicholas; Zambelli, Joseph; Chen, Guang-Hong

    2014-01-15

    Purpose: This paper concerns the feasibility of x-ray differential phase contrast (DPC) tomosynthesis imaging using a grating-based DPC benchtop experimental system, which is equipped with a commercial digital flat-panel detector and a medical-grade rotating-anode x-ray tube. An extensive system characterization was performed to quantify its imaging performance. Methods: The major components of the benchtop system include a diagnostic x-ray tube with a 1.0 mm nominal focal spot size, a flat-panel detector with 96 μm pixel pitch, a sample stage that rotates within a limited angular span of ±30°, and a Talbot-Lau interferometer with three x-ray gratings. A total of 21 projection views acquired with 3° increments were used to reconstruct three sets of tomosynthetic image volumes, including the conventional absorption contrast tomosynthesis image volume (AC-tomo) reconstructed using the filtered-backprojection (FBP) algorithm with the ramp kernel, the phase contrast tomosynthesis image volume (PC-tomo) reconstructed using FBP with a Hilbert kernel, and the differential phase contrast tomosynthesis image volume (DPC-tomo) reconstructed using the shift-and-add algorithm. Three inhouse physical phantoms containing tissue-surrogate materials were used to characterize the signal linearity, the signal difference-to-noise ratio (SDNR), the three-dimensional noise power spectrum (3D NPS), and the through-plane artifact spread function (ASF). Results: While DPC-tomo highlights edges and interfaces in the image object, PC-tomo removes the differential nature of the DPC projection data and its pixel values are linearly related to the decrement of the real part of the x-ray refractive index. The SDNR values of polyoxymethylene in water and polystyrene in oil are 1.5 and 1.0, respectively, in AC-tomo, and the values were improved to 3.0 and 2.0, respectively, in PC-tomo. PC-tomo and AC-tomo demonstrate equivalent ASF, but their noise characteristics quantified by the 3D NPS

  12. Experimental phasing using zinc and sulfur anomalous signals measured at the zinc absorption peak.

    PubMed

    Lee, Sangmin; Kim, Min-Kyu; Ji, Chang-Jun; Lee, Jin-Won; Cha, Sun-Shin

    2013-10-01

    Iron is an essential transition metal required for bacterial growth and survival. Excess free iron can lead to the generation of reactive oxygen species that can cause severe damage to cellular functions. Cells have developed iron-sensing regulators to maintain iron homeostasis at the transcription level. The ferric uptake regulator (Fur) is an iron-responsive regulator that controls the expression of genes involved in iron homeostasis, bacterial virulence, stress resistance, and redox metabolism. Here, we report the expression, purification, crystallization, and phasing of the apo-form of Bacillus subtilis Fur (BsFur) in the absence of regulatory metal ions. Crystals were obtained by microbatch crystallization method at 295 K and diffraction data at a resolution of 2.6 Å was collected at the zinc peak wavelength (λ=1.2823 Å). Experimental phasing identified the positions of one zinc atom and four sulfur atoms of cysteine residues coordinating the zinc atom, indicating that the data contained a meaningful anomalous scattering originating from the ordered zinc-coordinating sulfur atoms, in spite of the small anomalous signals of sulfur atoms at the examined wavelength. PMID:24173644

  13. Experimental round-robin differential phase-shift quantum key distribution

    NASA Astrophysics Data System (ADS)

    Li, Yu-Huai; Cao, Yuan; Dai, Hui; Lin, Jin; Zhang, Zhen; Chen, Wei; Xu, Yu; Guan, Jian-Yu; Liao, Sheng-Kai; Yin, Juan; Zhang, Qiang; Ma, Xiongfeng; Peng, Cheng-Zhi; Pan, Jian-Wei

    2016-03-01

    In conventional quantum key distribution (QKD) protocols, security is guaranteed by estimating the amount of leaked information. Such estimation tends to overrate, leading to a fundamental threshold of the bit error rate, which becomes a bottleneck of practical QKD development. This bottleneck is broken through by the recent work of round-robin differential phase-shift (RRDPS) protocol, which eliminates the fundamental threshold of the bit error rate. The key challenge for the implementation of the RRDPS scheme lies in the realization of a variable-delay Mach-Zehnder interferometer, which requires active and random choice of many delays. By designing an optical system with multiple switches and employing an active phase stabilization technology, we successfully construct a variable-delay interferometer with 127 actively selectable delays. With this measurement, we experimentally demonstrate the RRDPS protocol and obtain a final key rate of 15.54 bps with a total loss of 18 dB and an error rate of 8.9%.

  14. Indium-111-chloride and three-phase bone scintigraphy: A comparison for imaging experimental osteomyelitis

    SciTech Connect

    Hoskinson, J.J.; Daniel, G.B.; Patton, C.S. )

    1991-01-01

    To investigate the utility of indium-111-chloride ({sup 111}In-Cl) imaging in detecting osteomyelitis complicating surgical or fracture sites, the proximal tibia of 11 dogs were experimentally infected with Staphylococcus aureus after creation of a cortical defect. The contralateral limb served as a sham-operated control. Animals were serially imaged by radiography, three-phase technetium-99m-methylene diphosphonate (99mTc-MDP) scintigraphy, and {sup 111}In-Cl scintigraphy. There was a significant difference between infected (1.93) and noninfected (1.32) limb's tibia/femur count density ratios on 24-hr (p = 0.0001) and 72-hr (p = 0.0001) {sup 111}In-Cl images. A smaller difference was found for 99mTc-MDP bone-phase tibia/femur ratios (p = 0.0199). Using receiver operator characteristic analysis of tibia/femur ratios, a sensitivity of 61%, specificity of 88%, and positive (75%) and negative (79%) predictive values were determined for the 24-hr {sup 111}In-Cl images. Indium-111-chloride was superior to 99mTc-MDP in differentiating infected and noninfected operative sites.

  15. Quantitative study on experimentally observed poroelastic behavior of Berea sandstone in two-phase fluid system

    NASA Astrophysics Data System (ADS)

    Goto, Hiroki; Aichi, Masaatsu; Tokunaga, Tomochika; Yamamoto, Hajime; Ogawa, Toyokazu; Aoki, Tomoyuki

    2014-08-01

    Coupled two-phase fluid flow and poroelastic deformation of Berea sandstone is studied through laboratory experiment and numerical simulation. In the experiment, compressed air was infiltrated from the bottom of a water-saturated cylindrical Berea sandstone sample under hydrostatic external stress condition. Both axial and circumferential strains at half the height of the sample showed sudden extension and monotonic and gradual extension afterward. Numerical simulation based on thermodynamically consistent constitutive equations was conducted in order to quantitatively analyze the experimental results. In a simulation assuming isotropy of material properties, the volumetric discharge rate of water at the outlet and one of the axial, circumferential, and volumetric strains at half the height of the sample were reproduced well by each parameter set, while the other two strains were not. When introducing transverse isotropy, all the experimental data were reproduced well. In addition, the effect of saturation dependency of Bishop's effective stress coefficient on the deformation behavior of porous media was discussed, and it was found that strains, both axial and circumferential, are sensitive to the coefficient.

  16. Experimental investigation of a phase-locked harmonic multiplying inverted gyrotwystron

    SciTech Connect

    Guo, H.; Rodgers, J.; Chen, S.; Walter, M.; Granatstein, V.L.

    1996-12-31

    The University of Maryland is investigating harmonic multiplication as a means of generating high frequency, large bandwidth, high power microwaves with reduced magnetic fields and high subharmonic injection gain. The current experimental efforts are concentrated on two-stage devices. One of them is the phase-locked, harmonic-multiplying inverted gyrotwystron (phigtron) which uses a MIG produced electron beam (60 kV, 10 A), a combined mode launcher/input coupler, a Ku band fundamental gyro-TWT prebunching section, a radiation-free drift section, and a Ka band special complex cavity as output section. The bandwidth of this phigtron is expected to be improved over that of a gyroklystron since the input cavity is replaced by a traveling wave interaction structure. The second harmonic content of the beam may develop within both the input section and the drift space, and this allows the use of a smaller input signal. For a proof-of-principle experiment, a hot test tube was built. Initial experimental data will be provided in this presentation and will be compared with theoretical predictions. Finally, the feasibility of sing a phigtron configuration with second harmonic prebunching and fourth harmonic output to realize a compact, high performance MMW power source at 94 GHz will be discussed.

  17. Experimental investigation of a phased-locked harmonic multiplying inverted gyrotwystron

    SciTech Connect

    Guo, H.; Rodgers, J.; Chen, S.; Walter, M.; Granatstein, V.L.

    1996-12-31

    The University of Maryland is investigating harmonic multiplication as a means of generating high frequency, large bandwidth, high power microwaves with reduced magnetic field and high subharmonic injection gain. The current experimental efforts are concentrated don two-stage devices. One of them is the phase-locked, harmonic-multiplying inverted gyrotwystron (phigtron) which uses a MIG produced electron beam (60 kV, 10 A), a combined mode launcher/input coupler, a Ku band fundamental gyro-TWT prebunching section, a radiation-free drift section, and a Ka band special complex cavity as output section. The bandwidth of this phigtron is expected to be improved over that of a gyroklystron since the input cavity is replaced by a traveling wave interaction structure. The second harmonic content of the beam may develop within both the input section and the drift space, and this allows the use of a smaller input signal. For a proof-of-principle experiment, a hot test tube was built. Initial experimental data will be provided in this presentation and will be compared with theoretical predictions. Finally, the feasibility of using a phigtron configuration with second harmonic prebunching and fourth harmonic output to realize a compact, high performance MMW power source at 94 GHz is discussed.

  18. Experimental investigation of the dissolution of fractures. From early stage instability to phase diagram

    NASA Astrophysics Data System (ADS)

    Osselin, Florian; Budek, Agnieszka; Cybulski, Olgierd; Kondratiuk, Pawel; Garstecki, Piotr; Szymczak, Piotr

    2016-04-01

    Dissolution of natural rocks is a fundamental geological process and a key part of landscape formation and weathering processes. Moreover, in current hot topics like Carbon Capture and Storage or Enhanced Oil Recovery, mastering dissolution of the host rock is fundamental for the efficiency and the security of the operation. The basic principles of dissolution are well-known and the theory of the reactive infiltration instability has been extensively studied. However, the experimental aspect has proved very challenging because of the strong dependence of the outcome with pore network, chemical composition, flow rate... In this study we are trying to tackle this issue by using a very simple and efficient device consisting of a chip of pure gypsum inserted between two polycarbonate plates and subjected to a constant flow rate of pure water. Thanks to this device, we are able to control all parameters such as flow rate, fracture aperture, roughness of the walls... but also to observe in situ the progression of the dissolution thanks to the transparency of the polycarbonate which is impossible with 3D rocks. We have been using this experimental set-up to explore and investigate all aspects of the dissolution in a fracture, such as initial instability and phase diagram of different dissolution patterns, and to compare it with theory and simulations, yielding very good agreement and interesting feedbacks on the coupling between flow and chemistry in geological media

  19. Acute phase protein and antioxidant responses in dogs with experimental acute monocytic ehrlichiosis treated with rifampicin.

    PubMed

    Karnezi, Dimitra; Ceron, Jose J; Theodorou, Konstantina; Leontides, Leonidas; Siarkou, Victoria I; Martinez, Silvia; Tvarijonaviciute, Asta; Harrus, Shimon; Koutinas, Christos K; Pardali, Dimitra; Mylonakis, Mathios E

    2016-02-29

    There is currently lack of information on the changes of acute phase proteins (APP) and antioxidant markers and their clinical relevance as treatment response indicators in canine monocytic ehrlichiosis (CME). The objective of this study was to investigate the patterns of C-reactive protein (CRP), haptoglobin (Hp), ferritin and paraoxonase-1 (PON-1) during treatment of dogs with acute CME with rifampicin. Blood serum samples from ten Beagle dogs with experimental acute CME were retrospectively examined. Five dogs (Group A) were treated with rifampicin (10mg/Kg/24h), per os, for 3 weeks and 5 dogs (Group B) received no treatment (infected controls). Two Beagle dogs served as uninfected controls. Blood serum samples were serially examined prior to Ehrlichia canis inoculation and on post-inoculation days 14, 21, 28, 35 and 42. Significant changes of CRP, Hp, ferritin and PON-1 values were found in the majority of infected dogs. However, their concentrations did not differ between the two groups during the treatment observation period. The results of this study indicate that although several APP and PON-1 tend to significantly change in the majority of dogs with acute CME, they were of limited clinical relevance as treatment response indicators in this experimental setting. PMID:26854345

  20. A combined experimental and theoretical study of supercooling by two-phase mist flows

    SciTech Connect

    Yang Zhihua.

    1991-01-01

    A combined experimental and theoretical study of cooling enhancement by mist flow was performed for a square channel with a smooth wall. A new method is proposed for the turbulent deposition of droplets from two-phase mist flow into the wall of the channel. The proposed analytical model shows satisfactory agreement with observations from an experimental measurement using a particle-sizing two-dimensional reference-model laser-Doppler anemometry technique. Supercooling is defined as the simultaneous attainment of high heat flux and a low temperature of a surface to be cooled. Surface cooling is by evaporation from the exposed side of the film. The film is maintained by the continuous deposition of a stream of turbulent mist. An analytical model is provided for the heat-transfer enhancement coefficient due to mist supercooling. Also, experiments were carried out to investigate cooling enhancement. A substantial supercooling by mist flow is reported. The effects on supercooling of flow rate, droplet concentration and size, and wall heat flux are also reported.

  1. Phase-field modeling and experimental observation of the irregular interface morphology during directional solidification

    NASA Astrophysics Data System (ADS)

    Guo, Taiming

    Evolution of the complex solid-liquid interface morphology during a solidification process is an important issue in solidification theory since the morphology eventually dictates the final microstructure of the solidified material and therefore the material properties. Significant progress have been made in recent years in the study of the formation and development of regular dendritic growth, while only limited understanding is achieved for the irregular interface patterns observed in many industry processes. This dissertation focuses on the physical mechanisms of the development and transition of various irregular interface patterns, including the tilted dendritic, the seaweed, and the degenerate patterns. Both experimental observations and numerical simulation using the phase field modeling are performed. A special effort is devoted on the effects of the capillary anisotropy and the kinetic anisotropy in the evolution of the interface morphology during solidification. Experimentally, a directional solidification system is constructed to observe in situ the interface morphology by using the transparent organic material succinonitrile. With such a system, both the regular interface patterns (cellular and dendritic) and the irregular interface patterns (seaweed, degenerate and tilted dendritic) are observed. The effects of the temperature gradient and the interface velocity on the development and transition of the irregular interface patterns are investigated. It is found that the interface morphology transits from the seaweed to the tilted dendritic pattern as the interface velocity increases, while the tilted dendritic pattern may transit to the degenerate seaweed pattern as the temperature gradient increases. Under certain conditions, dendrites and seaweed coexist within the same grain. The dynamic transitions among various patterns and the effect of the solidification conditions are examined in detail. Numerically, a 2-D phase field model is developed to

  2. Effect of Intercritical Annealing Temperature on Phase Transformations in Medium Carbon Dual Phase Steels

    NASA Astrophysics Data System (ADS)

    Erişir, Ersoy; Bilir, Oğuz Gürkan

    2014-03-01

    This paper presents a study concerning phase transformations during quenching of a medium carbon dual phase steel using thermodynamic equilibrium calculations and dilatometry. Medium carbon steel was subjected to the intermediate quenching to produce a fine grained ferrite/martensite dual phase steel. 4 samples quenched after intercritical annealing at 725, 730, 740, and 750 °C. Martensite-start and bainite-start temperatures were calculated from dilatometric curves using plastodilotemeter. Experimental findings are supported by calculated phase diagrams and equilibrium phase compositions using ThermoCalc® and calculations from different empirical formulas. It is concluded that martensite-start temperature depend on chemical composition and grain size of austenite.

  3. Experimental Investigation and Thermodynamic Calculation of the Phase Equilibria in the Mg-Gd-Mn Ternary System

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Hu, Biao; Xu, Honghui; Liu, Shuhong; Zhou, Tao; Jin, Zhanpeng

    2015-10-01

    The phase equilibria of the Mg-Gd-Mn system at 773 K (500 °C) were investigated with sixteen alloys, by means of X-ray diffraction technique and electron probe microanalyses. Eight three-phase equilibria were accurately determined. No ternary compound was observed at 773 K (500 °C). The solubility of the third elements in the binary phases was measured. The isothermal section of the Mg-Gd-Mn system at 773 K (500 °C) was firstly established. It is worth mentioning that the three-phase field GdMg3-GdMg5-( αMn) was experimentally observed and is different from the three-phase field GdMg3-GdMg5-GdMn12 predicted using only the binary interaction parameters. Using the CALPHAD method, a thermodynamic modeling of the Mg-Gd-Mn system has been carried out in order to reasonably describe the experimental observations. The substitutional solution and sublattice models were used to describe the solution phases and intermediate phases. Comprehensive comparison between the calculated and measured isothermal sections shows that the experimental information is satisfactorily accounted for by the present thermodynamic modeling.

  4. Experimental phase diagram of negatively supercoiled DNA measured by magnetic tweezers and fluorescence

    NASA Astrophysics Data System (ADS)

    Vlijm, Rifka; Mashaghi, Alireza; Bernard, Stéphanie; Modesti, Mauro; Dekker, Cees

    2015-02-01

    The most common form of DNA is the well-known B-structure of double-helix DNA. Many processes in the cell, however, exert force and torque, inducing structural changes to the DNA that are vital to biological function. Virtually all DNA in cells is in a state of negative supercoiling, with a DNA structure that is complex. Using magnetic tweezers combined with fluorescence imaging, we here study DNA structure as a function of negative supercoiling at the single-molecule level. We classify DNA phases based on DNA length as a function of supercoiling, down to a very high negative supercoiling density σ of -2.5, and forces up to 4.5 pN. We characterize plectonemes using fluorescence imaging. DNA bubbles are visualized by the binding of fluorescently labelled RPA, a eukaryotic single-strand-binding protein. The presence of Z-DNA, a left-handed form of DNA, is probed by the binding of Zα77, the minimal binding domain of a Z-DNA-binding protein. Without supercoiling, DNA is in the relaxed B-form. Upon going toward negative supercoiling, plectonemic B-DNA is being formed below 0.6 pN. At higher forces and supercoiling densities down to about -1.9, a mixed state occurs with plectonemes, multiple bubbles and left-handed L-DNA. Around σ = -1.9, a buckling transition occurs after which the DNA end-to-end length linearly decreases when applying more negative turns, into a state that we interpret as plectonemic L-DNA. By measuring DNA length, Zα77 binding, plectoneme and ssDNA visualisation, we thus have mapped the co-existence of many DNA structures and experimentally determined the DNA phase diagram at (extreme) negative supercoiling.The most common form of DNA is the well-known B-structure of double-helix DNA. Many processes in the cell, however, exert force and torque, inducing structural changes to the DNA that are vital to biological function. Virtually all DNA in cells is in a state of negative supercoiling, with a DNA structure that is complex. Using magnetic tweezers

  5. EXPERIMENTAL EVALUATION OF CHEMICAL SEQUESTRATION OF CARBON DIOXIDE IN DEEP AQUIFER MEDIA - PHASE II

    SciTech Connect

    Neeraj Gupta; Bruce Sass; Jennifer Ickes

    2000-11-28

    In 1998 Battelle was selected by the U.S. Department of Energy's (DOE) National Energy Technology Laboratory (NETL) under a Novel Concepts project grant to continue Phase II research on the feasibility of carbon dioxide (CO{sub 2}) sequestration in deep saline formations. The focus of this investigation is to conduct detailed laboratory experiments to examine factors that may affect chemical sequestration of CO{sub 2} in deep saline formations. Reactions between sandstone and other geologic media from potential host reservoirs, brine solutions, and CO{sub 2} are being investigated under high-pressure conditions. Some experiments also include sulfur dioxide (SO{sub 2}) gases to evaluate the potential for co-injection of CO{sub 2} and SO{sub 2} related gases in the deep formations. In addition, an assessment of engineering and economic aspects is being conducted. This current Technical Progress Report describes the status of the project as of September 2000. The major activities undertaken during the quarter included several experiments conducted to investigate the effects of pressure, temperature, time, and brine composition on rock samples from potential host reservoirs. Samples (both powder and slab) were taken from the Mt. Simon Sandstone, a potential CO{sub 2} host formation in the Ohio, the Eau Claire Shale, and Rome Dolomite samples that form the caprock for Mt. Simon Sandstone. Also, a sample with high calcium plagioclase content from Frio Formation in Texas was used. In addition, mineral samples for relatively pure Anorthite and glauconite were experimented on with and without the presence of additional clay minerals such as kaolinite and montmorillonite. The experiments were run for one to two months at pressures similar to deep reservoirs and temperatures set at 50 C or 150 C. Several enhancements were made to the experimental equipment to allow for mixing of reactants and to improve sample collection methods. The resulting fluids (gases and liquids) as

  6. Phase-space analysis and experimental results for secondary focusing at X-ray beamlines

    SciTech Connect

    Huang, Rong; Meron, Mati; Kujala, Naresh; Barrea, Raul A.

    2011-11-17

    Micro-focusing optical devices at synchrotron beamlines usually have a limited acceptance, but more flux can be intercepted if such optics are used to focus secondary sources created by the primary optics. Flux throughput can be maximized by placing the secondary focusing optics close to or exactly at the secondary source position. However, standard methods of beamline optics analysis, such as the lens equation or matching the mirror surface to an ellipse, work poorly when the source-to-optics distance is very short. In this paper the general characteristics of the focusing of beams with Gaussian profiles by a 'thin lens' are analysed under the paraxial approximation in phase space, concluding that the focusing of a beam with a short source-to-optics distance is distinct from imaging the source; slope errors are successfully included in all the formulas so that they can be used to calculate beamline focusing with good accuracy. A method is also introduced to use the thin-lens result to analyse the micro-focusing produced by an elliptically bent trapezoid-shaped Kirkpatrick-Baez mirror. The results of this analysis are in good agreement with ray-tracing simulations and are confirmed by the experimental results of the secondary focusing at the 18-ID Bio-CAT beamline (at the APS). The result of secondary focusing carried out at 18-ID using a single-bounce capillary can also be explained using this phase-space analysis. A discussion of the secondary focusing results is presented at the end of this paper.

  7. Acute-phase protein response in pigs experimentally infected with Haemophilus parasuis.

    PubMed

    Martín de la Fuente, A J; Carpintero, R; Rodríguez Ferri, E F; Alava, M A; Lampreave, F; Gutiérrez Martín, C B

    2010-12-01

    The acute-phase protein (APP) response to an infection caused by Haemophilus parasuis, the etiological agent of Glässer's disease in pigs, was characterized measuring serum concentrations of pig major acute-phase protein (pig MAP), haptoglobin (HPT), C-reactive protein (CRP) and apolipoprotein A-I (ApoA-I) in colostrum-deprived pigs. They were divided into six experimental groups: non-immunized control group (I); immunized with a non-commercial bacterin (II); with an OMP-vaccine (III); with a sublethal dose (IV); and with two commercial bacterins (V and VI). All groups were challenged intratracheally with 5 × 10(9)CFU of H. parasuis 37 days after immunisation. The highest levels of the positive APPs (pig MAP, HPT and CRP) and the lowest levels of the negative APPs (ApoA-I) were observed in the animals that died as a consequence of the infection, both those in the non-immunized and in the immunized groups. However, the surviving animals (all of them in groups II, V and VI, two pigs in group III, and three in group IV) showed a minor variation in APP response, mainly on day 1 post-challenge (p.c.), and then tended to recover the initial values. APP response was still less pronounced in the groups of pigs previously immunized with bacterins. In conclusion, APP response can reflect Glässer-disease ongoing, showing a correlation between the severity and duration of the clinical signs and lesions and the magnitude of changes in the APP levels. PMID:19117607

  8. Experimental and computational investigation of the effect of phase transformation on fracture parameters of an SMA

    NASA Astrophysics Data System (ADS)

    Haghgouyan, Behrouz; Shafaghi, Nima; Aydıner, C. Can; Anlas, Gunay

    2016-07-01

    A comprehensive, multi-method experimental characterization of fracture is conducted on shape memory alloy NiTi that exhibits superelasticity due to austenite-to-martensite stress induced phase transformation. This characterization includes (i) load-based measurement of critical stress intensity factor (K max) using ASTM standard E399, (ii) measurement of crack tip opening displacement (CTOD) per ASTM standard E1290, (iii) the digital image correlation (DIC) characterization of the transformation zone as well as the displacement-field based measurement of K max from the DIC data. Samples have also been tested at T = 100 °C to suppress the martensitic transformation to investigate transformation toughening. The experimental investigation is complemented with finite element (FE) analysis that uses Auricchio–Taylor–Lubliner constitutive model. A direct observation with DIC revealed a small scale transformation (K-dominance). K max of the transforming material is higher than that of the transformation-suppressed material tested at 100 °C, suggesting transformation toughening. At 100 °C, the material becomes quite brittle with a very small crack-tip plastic zone when the transformation mechanism is blocked. By measures of critical CTOD, the gap widens even more between the superelastic and transformation-suppressed cases, particularly because of the side effect that, in this very interesting material, material modulus increases with temperature. Evaluating the transformation zone from the DIC strains with reference to the uniaxial stress–strain curve, an equivalent strain form is proposed in conjunction with the plane stress FE prediction.

  9. Equilibrium Model of Precipitation in Microalloyed Steels

    NASA Astrophysics Data System (ADS)

    Xu, Kun; Thomas, Brian G.; O'Malley, Ron

    2011-02-01

    The formation of precipitates during thermal processing of microalloyed steels greatly influences their mechanical properties. Precipitation behavior varies with steel composition and temperature history and can lead to beneficial grain refinement or detrimental transverse surface cracks. This work presents an efficient computational model of equilibrium precipitation of oxides, sulfides, nitrides, and carbides in steels, based on satisfying solubility limits including Wagner interaction between elements, mutual solubility between precipitates, and mass conservation of alloying elements. The model predicts the compositions and amounts of stable precipitates for multicomponent microalloyed steels in liquid, ferrite, and austenite phases at any temperature. The model is first validated by comparing with analytical solutions of simple cases, predictions using the commercial package JMat-PRO, and previous experimental observations. Then it is applied to track the evolution of precipitate amounts during continuous casting of two commercial steels (1004 LCAK and 1006Nb HSLA) at two different casting speeds. This model is easy to modify to incorporate other precipitates, or new thermodynamic data, and is a useful tool for equilibrium precipitation analysis.

  10. Experimental determination of some equilibrium parameter of Damavand tokamak by magnetic probe measurements for representing a physical model for plasma vertical movement.

    PubMed

    Farahani, N Darestani; Davani, F Abbasi

    2015-10-01

    This investigation is about plasma modeling for the control of vertical instabilities in Damavand tokamak. This model is based on online magnetic measurement. The algebraic equation defining the vertical position in this model is based on instantaneous force-balance. Two parameters in this equation, including decay index, n, and lambda, Λ, have been considered as functions of time-varying poloidal field coil currents and plasma current. Then these functions have been used in a code generated for modeling the open loop response of plasma. The main restriction of the suitability analysis of the model is that the experiments always have to be performed in the presence of a control loop for stabilizing vertical position. As a result, open loop response of the system has been identified from closed loop experimental data by nonlinear neural network identification method. The results of comparison of physical model with identified open loop response from closed loop experiments show root mean square error percentage less than 10%. The results are satisfying that the physical model is useful as a Damavand tokamak vertical movement simulator. PMID:26520958

  11. Development of an Experimental Phased Array Feed System and Algorithms for Radio Astronomy

    NASA Astrophysics Data System (ADS)

    Landon, Jonathan C.

    Phased array feeds (PAFs) are a promising new technology for astronomical radio telescopes. While PAFs have been used in other fields, the demanding sensitivity and calibration requirements in astronomy present unique new challenges. This dissertation presents some of the first astronomical PAF results demonstrating the lowest noise temperature and highest sensitivity at the time (66 Kelvin and 3.3 m^2/K, respectively), obtained using a narrowband (425 kHz bandwidth)prototype array of 19 linear co-polarized L-band dipoles mounted at the focus of the Green Bank 20 Meter Telescope at the National Radio Astronomy Observatory (NRAO) in Green Bank, West Virginia. Results include spectral line detection of hydroxyl (OH) sources W49N and W3OH, and some of the first radio camera images made using a PAF, including an image of the Cygnus X region. A novel array Y-factor technique for measuring the isotropic noise response of the array is shown along with experimental measurements for this PAF. Statistically optimal beamformers (Maximum SNR and MVDR) are used throughout the work. Radio-frequency interference (RFI) mitigation is demonstrated experimentally using spatial cancelation with the PAF. Improved RFI mitigation is achieved in the challenging cases of low interference-to-noise ratio (INR) and moving interference by combining subspace projection (SP) beamforming with a polynomial model to track a rank 1 subspace. Limiting factors in SP are investigated including sample estimation error, subspace smearing, noise bias, and spectral scooping; each of these factors is overcome with the polynomial model and prewhitening. Numerical optimization leads to the polynomial subspace projection (PSP) method, and least-squares fitting to the series of dominant eigenvectors over a series of short term integrations (STIs) leads to the eigenvector polynomial subspace projection (EPSP) method. Expressions for the gradient, Hessian, and Jacobian are given for use in numerical optimization

  12. Estimating fate and transport of multiple contaminants in the vadose zone using a multi-layered soil column and three-phase equilibrium partitioning model

    SciTech Connect

    Rucker, Gregory G.

    2007-07-01

    Soils at waste sites must be evaluated for the potential of residual soil contamination to leach and migrate to the groundwater beneath the disposal area. If migration to the aquifer occurs, contaminants can travel vast distances and pollute drinking water wells, thus exposing human receptors to harmful levels of toxins and carcinogens. To prevent groundwater contamination, a contaminant fate and transport analysis is necessary to assess the migration potential of residual soil contaminants. This type of migration analysis is usually performed using a vadose zone model to account for complex geotechnical and chemical variables including: decay processes, infiltration rate, soil properties, vadose zone thickness, and chemical behavior. The distinct advantage of using a complex model is that less restrictive, but still protective, soil threshold levels may be determined avoiding the unnecessary and costly remediation of marginally contaminated soils. However, the disadvantage of such modeling is the additional cost for data collection and labor required to apply these models. In order to allay these higher costs and to achieve a less restrictive but still protective clean-up level, a multiple contaminant and multi layered soil column equilibrium partitioning model was developed which is faster, simpler and less expensive to use. (authors)

  13. ESTIMATING FATE AND TRANSPORT OF MULTIPLE CONTAMINANTS IN THE VADOSE ZONE USING A MULTI-LAYERED SOIL COLUMN AND THREE-PHASE EQUILIBRIUM PARTITIONING MODEL

    SciTech Connect

    Rucker, G

    2007-05-01

    Soils at waste sites must be evaluated for the potential of residual soil contamination to leach and migrate to the groundwater beneath the disposal area. If migration to the aquifer occurs, contaminants can travel vast distances and contaminate drinking water wells, thus exposing human receptors to harmful levels of toxins and carcinogens. To prevent groundwater contamination, a contaminant fate and transport analysis is necessary to assess the migration potential of residual soil contaminates. This type of migration analysis is usually performed using a vadose zone model to account for complex geotechnical and chemical variables including: contaminant decay, infiltration rate, soil properties, vadose zone thickness, and chemical behavior. The distinct advantage of using a complex model is that less restrictive, but still protective, soil threshold levels may be determined avoiding the unnecessary and costly remediation of marginally contaminated soils. However, the disadvantage of such modeling is the additional cost for data collection and labor required to apply these models. In order to allay these higher costs and to achieve a less restrictive but still protective clean-up level, a multiple contaminant and multi layered soil column equilibrium partitioning model was developed which is faster, simpler and less expensive to use.

  14. Gas Phase Elimination Kinetics of Methyl Mandelate: Experimental and DFT Studies

    NASA Astrophysics Data System (ADS)

    Rotinov, Alexandra; Escalante, Luz; Ramirez, Beatriz; Pereira, Desiree; Córdova, Tania; Chuchani, Gabriel

    2009-10-01

    The gas phase elimination kinetics of racemic methyl mandelate was determined in a static system, and yielded on decomposition benzaldehyde, methanol, and carbon monoxide. The reaction was homogeneous, unimolecular, and follows a first-order law in the temperature range 379.5-440 °C and pressure range of 21.5-71.1 Torr. The variation of the rate coefficient with temperature is expressed by the following Arrhenius equation: log k1 = (12.70 ± 0.14) - (206.5 ± 1.9) kJ/mol (2.303RT)-1. The theoretical estimations of the kinetics and thermodynamics parameters were carried out using DFT methods B3LYP, B3PW91, MPW1PW91, and PBEPBE. Calculation results are in reasonably good agreement with the experimental energy and enthalpy values when using the PBEPBE DFT functional. However, regarding the entropy of activation, the MPW1PW91 functional is more adequate to describe the reaction. These calculations imply a molecular concerted nonsynchronous mechanism involving a two-step process, where the formation of the unstable α-lactone intermediate is the rate-determining factor. The lactone intermediate rapidly decarbonylates to produce benzaldehyde and carbon monoxide. The transition state is late in the reaction coordinate, resembling the lactone configuration.

  15. Numerical Simulation and Experimental Validation of Calibrant-Loaded Extraction Phase Standardization Approach.

    PubMed

    Alam, Md Nazmul; Pawliszyn, Janusz

    2016-09-01

    We present the kinetics of calibrant release and analyte uptake between the sample and calibrant-loaded extraction phase, CL-EP, with a finite-element analysis (FEA) using COMSOL Multiphysics software package. Effect of finite and infinite sample volume conditions, as well as various sample environment parameters such as fluid flow velocity, temperature, and presence of a binding matrix component were investigated in detail with the model in relation to the performance of the calibration. The simulation results supported by experimental data demonstrate the suitability of the CL-EP method for analysis of samples with variation of the sample environment parameters. The calibrant-loaded approach can provide both total and free concentrations from a single experiment based on whether the partition coefficient (Kes) value being used is measured in a matrix-matched sample or in a matrix-free sample, respectively. Total concentrations can also be obtained by utilizing CL-EP in combination with external matrix-matched calibrations, which can be employed to automate the sampling process and provide corrections for variations in sample preparation, matrix effects, and detection processes. This approach is also suitable for very small volumes of sample, where addition of an internal standard in the sample is either troublesome or can change the sample characteristics. PMID:27508421

  16. Experimental Study of Gas Injection Effect as a Secondary Phase on Flow Induced Rotary Hub

    NASA Astrophysics Data System (ADS)

    Nouri, N. M.; Sarreshtehdari, A.; Maghsoudi, E.

    Rotational velocity changes, via shear stress modification, due to air bubbles injection in a rotary device experimentally investigated. Air bubbles injected to the water flow crosses the neighbor of the hub which can rotate just by water flow shear stresses. Increasing air void fraction lead to decrease of shear stresses exerted on the hub surface until in high void fractions, the hub motion stopped as observed. Amount of skin friction decrease has been estimated by counting central hub rotations. Wall shear stress decreased as bubbles were injected in the all range of Re changing from 60378 to 61238 and also by increasing air void fraction from 1.22 to 3.06%. Skin friction reduction more than 80% achieved in this study as maximum measured volume of air fraction injected to fluid flow. Remarkable obtained skin friction reduction in this special case indicates the possibility of drag reduction by injection of low amount of air on rotary parts in liquid phase (e.g., water) while this effect is unfavorable in cases where shear stress is a useful phenomena (e.g., mixing).

  17. Laser-wakefield accelerators for medical phase contrast imaging: Monte Carlo simulations and experimental studies

    NASA Astrophysics Data System (ADS)

    Cipiccia, S.; Reboredo, D.; Vittoria, Fabio A.; Welsh, G. H.; Grant, P.; Grant, D. W.; Brunetti, E.; Wiggins, S. M.; Olivo, A.; Jaroszynski, D. A.

    2015-05-01

    X-ray phase contrast imaging (X-PCi) is a very promising method of dramatically enhancing the contrast of X-ray images of microscopic weakly absorbing objects and soft tissue, which may lead to significant advancement in medical imaging with high-resolution and low-dose. The interest in X-PCi is giving rise to a demand for effective simulation methods. Monte Carlo codes have been proved a valuable tool for studying X-PCi including coherent effects. The laser-plasma wakefield accelerators (LWFA) is a very compact particle accelerator that uses plasma as an accelerating medium. Accelerating gradient in excess of 1 GV/cm can be obtained, which makes them over a thousand times more compact than conventional accelerators. LWFA are also sources of brilliant betatron radiation, which are promising for applications including medical imaging. We present a study that explores the potential of LWFA-based betatron sources for medical X-PCi and investigate its resolution limit using numerical simulations based on the FLUKA Monte Carlo code, and present preliminary experimental results.

  18. EXPERIMENTAL INFECTION WITH Toxocara cati IN PIGS: MIGRATORY PATTERN AND PATHOLOGICAL RESPONSE IN EARLY PHASE

    PubMed Central

    Sommerfelt, Irma Estela; Duchene, Adriana; Daprato, Betina; Lopez, Clara María; Cardillo, Natalia; Franco, Aníbal Juan

    2014-01-01

    Experimental inoculations of approximately 100,000 infective Toxocara cati larval eggs were done in twelve pigs. The T. cati eggs used for inoculation were collected from cat's feces. Another group of three pigs served as an uninfected control. Groups of infected pigs were euthanized at seven, 14, 21, and 28 days post-inoculation (dpi). Tissue samples were taken for digestion and histopathology changes in early phase. The number of larvae recovered from the lungs peaked at seven and 14 dpi and were also present at 21, and 28 dpi. Larvae of T. cati were present in the lymph nodes of the small and large intestine at seven, 14, and 28 dpi and at seven, 14, 21, and 28 dpi respectively. In other studied tissues, no larvae or less than one larva per gram was detected. The pathological response observed in the liver and lungs at seven and 14 dpi, showed white spots on the liver surface and areas of consolidation were observed in the lungs. The lungs showed an inflammatory reaction with larvae in center at 28 dpi. In the liver we observed periportal and perilobular hepatitis. The lymph nodes of the intestines displayed eosinophil lymphadenitis with reactive centers containing parasitic forms in some of them. The granulomatous reaction was not observed in any tissues. The role of the other examined tissues had less significance. The relevance of this parasite as an etiological agent that leads to disease in paratenic hosts is evident. PMID:25076437

  19. Experimental and Computational Investigations of Phase Change Thermal Energy Storage Canisters

    NASA Technical Reports Server (NTRS)

    Ibrahim, Mounir; Kerslake, Thomas; Sokolov, Pavel; Tolbert, Carol

    1996-01-01

    Two sets of experimental data are examined in this paper, ground and space experiments, for cylindrical canisters with thermal energy storage applications. A 2-D computational model was developed for unsteady heat transfer (conduction and radiation) with phase-change. The radiation heat transfer employed a finite volume method. The following was found in this study: (1) Ground Experiments: the convection heat transfer is equally important to that of the radiation heat transfer; radiation heat transfer in the liquid is found to be more significant than that in the void; including the radiation heat transfer in the liquid resulted in lower temperatures (about 15 K) and increased the melting time (about 10 min.); generally, most of the heat flow takes place in the radial direction. (2) Space Experiments: radiation heat transfer in the void is found to be more significant than that in the liquid (exactly the opposite to the Ground Experiments); accordingly, the location and size of the void affects the performance considerably; including the radiation heat transfer in the void resulted in lower temperatures (about 40 K).

  20. Experimental Study of Overtopping Induced Landslide Dam Break Flow and Two Layer Two Phase Mixture Model

    NASA Astrophysics Data System (ADS)

    Liu, L.; Duan, J. G.; Zhong, D.; Zhang, H.

    2013-12-01

    A series of experiments were conducted to investigate flood flow generated by the failure of landslide dams due to overtopping. These experiments aim to quantify the influences of inflow discharge, downstream slope, width of dam crest, dam height, and dam material on the flood flow. Images from high-speed cameras are used to determine the profiles of dam body and flow discharge during the failure processes. Results showed that the water level in the upstream reservoir and the erosion of dam body are the dominant factors affecting the downstream flood flow. A physical-based model is established to calculate the arriving time and the peak discharge of dam break flow using two phase mixture model. Both analytical and numerical solutions were derived for the model. The modelling results were verified using data from this and several other laboratory experimental datasets. The agreement between the calculated and measured data showed the applicability of the proposed model for predicting the peak discharge of overtopping induced dam break flow.

  1. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

  2. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

    2016-03-01

    Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems. PMID:27078486

  3. Solubility and Reaction Rates of Aluminum Solid Phases Under Geothermal Conditions

    SciTech Connect

    Benezeth, P.; Palmer, D.A.; Wesolowski, D.J.; Anovitz, L.M.

    2000-05-28

    Experimental studies involving equilibrium solubility and dissolution/precipitation rates were initiated on aluminum hydroxide phases prevalent under geothermal reservoir conditions. A large capacity, hydrogen-electrode concentration cell (HECC) was constructed specifically for this purpose.

  4. Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks

    NASA Astrophysics Data System (ADS)

    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

  5. Experimental study of high-temperature smectic- C_{FI2}{ *} phase in chiral smectic liquid crystals that exhibit phase-sequence reversal.

    PubMed

    Sandhya, K L; Song, J K; Panarin, Yu P; Vij, J K; Kumar, S

    2008-05-01

    We report the results of an experimental study of a recently observed phase sequence reversal of smectic-C_{FI2}{ *} [ SmC;{ *}(q_{T}=1/2); a four layer antiferroelectric] phase appearing in the temperature range above the smectic-C{ *} (SmC;{ *}) phase from the results of optical birefringence, spontaneous polarization, selective reflection, conoscopy, and dielectric spectroscopy. The SmC_{FI2}{ *} phase is observed in an antiferroelectric liquid crystalline compound, 10OHF, in a temperature range above that of SmC{ *} phase and is found to be thermodynamically monotropic, i.e., it appears only upon cooling from SmC_{alpha}{ *} phase. This is also unstable as if it is once transformed to SmC{ *} by the application of the bias, it does not return to its original state unless the sample is heated and cooled again in the absence of the bias. Nevertheless this phase is stabilized by the addition of a chiral smectic compound 9OTBBB1M7 (abbreviated as C9), having a wide temperature range of the SmC_{FI2}{ *} phase. The temperature range of the low temperature SmC{ *} decreases with increase in the concentration of C9 and for a concentration of 55 wt. %, SmC{ *} disappears and the transition takes place directly from SmC_{FI2}{ *} to the crystalline phase on cooling. The existence of such a high-temperature SmC_{FI2}{ *} phase is also supported by a phenomenological model. PMID:18643087

  6. Experimental comparison of grating- and propagation-based hard X-ray phase tomography of soft tissue

    SciTech Connect

    Lang, S.; Schulz, G.; Müller, B.; Zanette, I.; Dominietto, M.; Langer, M.; Rack, A.; Le Duc, G.; David, C.; Mohr, J.; Pfeiffer, F.; Weitkamp, T.

    2014-10-21

    When imaging soft tissues with hard X-rays, phase contrast is often preferred over conventional attenuation contrast due its superior sensitivity. However, it is unclear which of the numerous phase tomography methods yields the optimized results at given experimental conditions. Therefore, we quantitatively compared the three phase tomography methods implemented at the beamline ID19 of the European Synchrotron Radiation Facility: X-ray grating interferometry (XGI), and propagation-based phase tomography, i.e., single-distance phase retrieval (SDPR) and holotomography (HT), using cancerous tissue from a mouse model and an entire heart of a rat. We show that for both specimens, the spatial resolution derived from the characteristic morphological features is about a factor of two better for HT and SDPR compared to XGI, whereas the XGI data generally exhibit much better contrast-to-noise ratios for the anatomical features. Moreover, XGI excels in fidelity of the density measurements, and is also more robust against low-frequency artifacts than HT, but it might suffer from phase-wrapping artifacts. Thus, we can regard the three phase tomography methods discussed as complementary. The application will decide which spatial and density resolutions are desired, for the imaging task and dose requirements, and, in addition, the applicant must choose between the complexity of the experimental setup and the one of data processing.

  7. Experimental comparison of grating- and propagation-based hard X-ray phase tomography of soft tissue

    NASA Astrophysics Data System (ADS)

    Lang, S.; Zanette, I.; Dominietto, M.; Langer, M.; Rack, A.; Schulz, G.; Le Duc, G.; David, C.; Mohr, J.; Pfeiffer, F.; Müller, B.; Weitkamp, T.

    2014-10-01

    When imaging soft tissues with hard X-rays, phase contrast is often preferred over conventional attenuation contrast due its superior sensitivity. However, it is unclear which of the numerous phase tomography methods yields the optimized results at given experimental conditions. Therefore, we quantitatively compared the three phase tomography methods implemented at the beamline ID19 of the European Synchrotron Radiation Facility: X-ray grating interferometry (XGI), and propagation-based phase tomography, i.e., single-distance phase retrieval (SDPR) and holotomography (HT), using cancerous tissue from a mouse model and an entire heart of a rat. We show that for both specimens, the spatial resolution derived from the characteristic morphological features is about a factor of two better for HT and SDPR compared to XGI, whereas the XGI data generally exhibit much better contrast-to-noise ratios for the anatomical features. Moreover, XGI excels in fidelity of the density measurements, and is also more robust against low-frequency artifacts than HT, but it might suffer from phase-wrapping artifacts. Thus, we can regard the three phase tomography methods discussed as complementary. The application will decide which spatial and density resolutions are desired, for the imaging task and dose requirements, and, in addition, the applicant must choose between the complexity of the experimental setup and the one of data processing.

  8. Theory of the Protein Equilibrium Population Snapshot by H/D Exchange Electrospray Ionization Mass Spectrometry (PEPS-HDX-ESI-MS) Method used to obtain Protein Folding Energies/Rates and Selected Supporting Experimental Evidence

    PubMed Central

    Liyanage, Rohana; Devarapalli, Nagarjuna; Pyland, Derek B.; Puckett, Latisha M.; Phan, N. H.; Starch, Joel A.; Okimoto, Mark R.; Gidden, Jennifer; Stites, Wesley E.; Lay, Jackson O.

    2012-01-01

    Protein equilibrium snapshot by hydrogen/deuterium exchange electrospray ionization mass spectrometry (PEPS-HDX-ESI-MS or PEPS) is a method recently introduced for estimating protein folding energies and rates. Herein we describe the basis for this method using both theory and new experiments. Benchmark experiments were conducted using ubiquitin because of the availability of reference data for folding and unfolding rates from NMR studies. A second set of experiments was also conducted to illustrate the surprising resilience of the PEPS to changes in HDX time, using staphylococcal nuclease and time frames ranging from a few seconds to several minutes. Theory suggests that PEPS experiments should be conducted at relatively high denaturant concentrations, where the protein folding/unfolding rates are slow with respect to HDX and the life times of both the closed and open states are long enough to be sampled experimentally. Upon deliberate denaturation, changes in folding/unfolding are correlated with associated changes in the ESI-MS signal upon fast HDX. When experiments are done quickly, typically within a few seconds, ESI-MS signals, corresponding to the equilibrium population of the native (closed) and denatured (open) states can both be detected. The interior of folded proteins remains largely un-exchanged. Amongst MS methods, the simultaneous detection of both states in the spectrum is unique to PEPS and provides a “snapshot” of these populations. The associated ion intensities are used to estimate the protein folding equilibrium constant (or the free energy change, ΔG). Linear extrapolation method (LEM) plots of derived ΔG values for each denaturant concentration can then be used to calculate ΔG in the absence of denaturant, ΔGH2O. In accordance with the requirement for detection of signals for both the folded and unfolded states, this theoretical framework predicts that PEPS experiments work best at the middle of the denaturation curve where natured

  9. Napoleon Is in Equilibrium

    PubMed Central

    Phillips, Rob

    2016-01-01

    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. PMID:27429713

  10. Napoleon Is in Equilibrium

    NASA Astrophysics Data System (ADS)

    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.

  11. Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3

    NASA Astrophysics Data System (ADS)

    Khaikin, L. S.; Tikhonov, D. S.; Grikina, O. E.; Rykov, A. N.; Stepanov, N. F.

    2014-05-01

    The equilibrium molecular structure of 2-methyl-1,4-naphthoquinone (vitamin K3) having C s symmetry is experimentally characterized for the first time by means of gas-phase electron diffraction using quantum-chemical calculations and data on the vibrational spectra of related compounds.

  12. Experimental limits on the fidelity of adiabatic geometric phase gates in a single solid-state spin qubit

    NASA Astrophysics Data System (ADS)

    Zhang, Kai; Nusran, N. M.; Slezak, B. R.; Gurudev Dutt, M. V.

    2016-05-01

    While it is often thought that the geometric phase is less sensitive to fluctuations in the control fields, a very general feature of adiabatic Hamiltonians is the unavoidable dynamic phase that accompanies the geometric phase. The effect of control field noise during adiabatic geometric quantum gate operations has not been probed experimentally, especially in the canonical spin qubit system that is of interest for quantum information. We present measurement of the Berry phase and carry out adiabatic geometric phase gate in a single solid-state spin qubit associated with the nitrogen-vacancy center in diamond. We manipulate the spin qubit geometrically by careful application of microwave radiation that creates an effective rotating magnetic field, and observe the resulting Berry phase signal via spin echo interferometry. Our results show that control field noise at frequencies higher than the spin echo clock frequency causes decay of the quantum phase, and degrades the fidelity of the geometric phase gate to the classical threshold after a few (∼10) operations. This occurs inspite of the geometric nature of the state preparation, due to unavoidable dynamic contributions. We have carried out systematic analysis and numerical simulations to study the effects of the control field noise and imperfect driving waveforms on the quantum phase gate.

  13. Systemic acute phase proteins response in calves experimentally infected with Eimeria zuernii.

    PubMed

    Lassen, Brian; Bangoura, Berit; Lepik, Triin; Orro, Toomas

    2015-09-15

    Acute phase proteins (APPs) have been demonstrated to be useful in evaluating general health stress and diseases in cattle. Serum amyloid A (SAA) and haptoglobin (Hp) are APPs that are produced during inflammation, and likely play a role in host immunological defence against Eimeria infection and the associated intestinal tissue damage. We investigated the involvement of SAA and HP in an experimental study, including three groups of calves: a control group (group 0, n=11), and two groups infected with either 150,000 or 250,000 Eimeria zuernii oocysts (group 1 (n=11) and group 2 (n=12), respectively). The calves were monitored for 28 days and data was collected on oocyst excretion, faecal score, animal weight, and SAA and Hp serum concentrations. Generalized linear mixed models showed that the clinical symptoms, indicated by an increase in the number of oocysts in the faeces and severe diarrhoea, manifested at patency for group 1 and 2. Serum Hp and SAA levels also increased during this period. Hp appeared to be a more sensitive marker than SAA, and differences between groups 1 and 2 were observed only for Hp. Linear regression models showed a negative association between weight gain and Hp concentrations, calculated as the area under the curve (AUC) during the overall experimental period and the patency period. A similar result was seen for SAA only during the patency period. This result supports the assumption that reduced weight gain due to E. zuernii infection is an immunologically driven process that involves an increase in APPs. A random intercept regression model of oocyst shedding groups showed that calves shedding 1-500 oocysts had reduced concentrations of Hp, indicating that a different immunological reaction occurs during mild shedding of E. zuernii oocysts than during more intensive shedding. A similar model was used to examine associations between faecal scores and Hp concentrations for each group. Group 2 calves with haemorrhagic diarrhoea displayed

  14. Experimental Method Development for Estimating Solid-phase Diffusion Coefficients and Material/Air Partition Coefficients of SVOCs

    EPA Science Inventory

    The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...

  15. Changing Patterns of Acute Phase Proteins and Inflammatory Mediators in Experimental Caprine Coccidiosis

    PubMed Central

    Khodakaram-Tafti, Azizollah; Razavi, Seyed Mostafa; Nazifi, Saeed

    2011-01-01

    This experiment was conducted to assess the changing patterns and relative values of acute phase proteins and inflammatory cytokines in experimental caprine coccidiosis. Eighteen newborn kids were allocated to 3 equal groups. Two groups, A and B, were inoculated with a single dose of 1×103 and1×105 sporulated oocysts of Eimeria arloingi, respectively. The third group, C, received distilled water as the control. Blood samples were collected from the jugular vein of each kid in both groups before inoculation and at days 7, 14, 21, 28, 35, and 42 post-inoculation (PI), and the levels of haptoglobin (Hp), serum amyloid A (SAA), TNF-α, and IFN-γ were measured. For histopathological examinations, 2 kids were selected from each group, euthanized, and necropsied on day 42 PI. Mean Hp concentrations in groups A and B (0.34 and 0.68 g/L) at day 7 PI were 3.2 and 6.3 times higher than the levels before inoculation. The mean SAA concentrations in groups A and B (25.6 and 83.5 µg/ml) at day 7 PI were 4.2 and 13.7 times higher than the levels before inoculation. The magnitude and duration of the Hp and SAA responses correlated well with the inoculation doses and the severity of the clinical signs and diarrhea in kids. These results were consistent with the histopathological features, which showed advanced widespread lesions in group B. In both groups, significant correlations were observed for TNF-α and IFN-γ with SAA and Hp, respectively. In conclusion, Hp and SAA can be useful non-specific diagnostic indicators in caprine coccidiosis. PMID:22072820

  16. Experimental Determination of the Phase Diagram of the CaO-SiO2-5 pctMgO-10 pctAl2O3-TiO2 System

    NASA Astrophysics Data System (ADS)

    Shi, Junjie; Sun, Lifeng; Zhang, Bo; Liu, Xuqiang; Qiu, Jiyu; Wang, Zhaoyun; Jiang, Maofa

    2016-02-01

    Ti-bearing CaO-SiO2-MgO-Al2O3-TiO2 slags are important for the smelting of vanadium-titanium bearing magnetite. In the current study, the pseudo-melting temperatures were determined by the single-hot thermocouple technique for the specified content of 5 to 25 pct TiO2 in the CaO-SiO2-5 pctMgO-10 pctAl2O3-TiO2 phase diagram system. The 1573 K to 1773 K (1300 °C to 1500 °C) liquidus lines were first calculated based on the pseudo-melting temperatures according to thermodynamic equations in the specific primary crystal field. The phase equilibria at 1573 K (1300 °C) were determined experimentally using the high-temperature equilibrium and quench method followed by X-ray fluorescence, X-ray diffraction, scanning electron microscope, and energy dispersive X-ray spectroscope analysis; the liquid phase, melilite solid solution phase (C2MS2,C2AS)ss, and perovskite phase of CaO·TiO2 were found. Therefore, the phase diagram was constructed for the specified region of the CaO-SiO2-5 pctMgO-10 pctAl2O3-TiO2 system.

  17. Getting Freshman in Equilibrium.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1983

    1983-01-01

    Various aspects of chemical equilibrium were discussed in six papers presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). These include student problems in understanding hydrolysis, helping students discover/uncover topics, equilibrium demonstrations, instructional strategies, and flaws to kinetic…

  18. Experimental Phase Relations of Hydrous, Primitive Melts: Implications for variably depleted mantle melting in arcs and the generation of primitive high-SiO2 melts

    NASA Astrophysics Data System (ADS)

    Weaver, S.; Wallace, P. J.; Johnston, A.

    2010-12-01

    There has been considerable experimental and theoretical work on how the introduction of H2O-rich fluids into the mantle wedge affects partial melting in arcs and chemical evolution of mantle melts as they migrate through the mantle. Studies aimed at describing these processes have become largely quantitative, with an emphasis on creating models that suitably predict the production and evolution of melts and describe the thermal state of arcs worldwide. A complete experimental data set that explores the P-T conditions of melt generation and subsequent melt extraction is crucial to the development, calibration, and testing of these models. This work adds to that data set by constraining the P-T-H2O conditions of primary melt extraction from two end-member subduction zones, a continental arc (Mexico) and an intraoceanic arc (Aleutians). We present our data in context with primitive melts found worldwide and with other experimental studies of melts produced from fertile and variably depleted mantle sources. Additionally, we compare our experimental results to melt compositions predicted by empirical and thermodynamic models. We used a piston-cylinder apparatus and employed an inverse approach in our experiments, constraining the permissible mantle residues with which our melts could be in equilibrium. We confirmed our inverse approach with forced saturation experiments at the P-T-H2O conditions of melt-mantle equilibration. Our experimental results show that a primitive, basaltic andesite melt (JR-28) from monogenetic cinder cone Volcan Jorullo (Central Mexico) last equilibrated with a harzburgite mantle residue at 1.2-1.4 GPa and 1150-1175°C with H2O contents in the range of 5.5-7 wt% H2O prior to ascent and eruption. Phase relations of a tholeiitic high-MgO basaltic melt (ID-16) from the Central Aleutians (Okmok) show the conditions of last equilibration with a fertile lherzolite mantle residue at shallower (1.2 GPa) but hotter (1275°C) conditions with

  19. Temperature-time relationships from lunar two phase metallic particles /14310, 14163, 14003/.

    NASA Technical Reports Server (NTRS)

    Axon, H. J.; Goldstein, J. I.

    1972-01-01

    Electron-microprobe and metallographic techniques are applied in an analysis of individual phases in two-phase metallic alpha + gamma particles and phosphide-metal particles separated magnetically or mechanically from three lunar soil samples. The interface equilibrium temperatures of the two-phase particles during their lunar residence are inferred from experimental Fe-Ni and Fe-Ni-P equilibrium diagrams. Times of equilibration are determined in some cases.

  20. Experimental evidence of phase coherence of magnetohydrodynamic turbulence in the solar wind: GEOTAIL satellite data.

    PubMed

    Koga, D; Chian, A C-L; Hada, T; Rempel, E L

    2008-02-13

    Magnetohydrodynamic (MHD) turbulence is commonly observed in the solar wind. Nonlinear interactions among MHD waves are likely to produce finite correlation of the wave phases. For discussions of various transport processes of energetic particles, it is fundamentally important to determine whether the wave phases are randomly distributed (as assumed in the quasi-linear theory) or have a finite coherence. Using a method based on the surrogate data technique, we analysed the GEOTAIL magnetic field data to evaluate the phase coherence in MHD turbulence in the Earth's foreshock region. The results demonstrate the existence of finite phase correlation, indicating that nonlinear wave-wave interactions are in progress. PMID:17681910

  1. Experimental investigation of the equalization-enhanced phase noise in long haul 56 Gbaud DP-QPSK systems.

    PubMed

    Zhuge, Qunbi; Xu, Xian; El-Sahn, Ziad A; Mousa-Pasandi, Mohammad E; Morsy-Osman, Mohamed; Chagnon, Mathieu; Qiu, Meng; Plant, David V

    2012-06-18

    We experimentally demonstrate the impact of equalization-enhanced phase noise (EEPN) on the performance of 56 Gbaud dual-polarization (DP) QPSK long haul transmission systems. Although EEPN adds additional noise to the received symbols, we show that this reduces the phase variance introduced by the LO laser, and therefore should be considered when designing the carrier phase recovery (CPR) algorithms and estimating system performance. Further, we experimentally demonstrate the performance degradation caused by EEPN when a LO laser with a large linewidth is used at the receiver. When using a 2.6 MHz linewidth distributed feedback (DFB) laser instead of a ~100 kHz linewidth external-cavity laser (ECL) as a LO, the transmission distance is reduced from 4160 km to 2640 km due to EEPN. We also confirm the reduction of the phase variance of the received symbols for longer transmission distances showing its impact on the CPR algorithm optimization when a DFB laser is used at the receiver. Finally, the relationship between the EEPN-induced penalty versus the signal baud rate and the LO laser linewidth is experimentally evaluated, and numerically validated by simulations. PMID:22714449

  2. Modeling and experimental analysis of phased array synthetic jet cross-flow interactions

    NASA Astrophysics Data System (ADS)

    Hasnain, Zohaib

    developed from the full momentum equations. Analytical methods to solve these reduced order models were then implemented in order to cut down on solution time. A wave equation based solution to the stream and vorticity formulation of the momentum equations was implemented to predict SJA behavior. For the experimental component of the project, a finite span high aspect ratio orifice SJA was designed and characterized through Constant Temperature Anemometry (CTA). Two of these SJA were then placed in close proximity to one another. The relative phase of operation between the two jets was altered and the resulting flow field was measured through Particle Image Velocimetry (PIV). This process was repeated for different sets of array spacing, and SJA to cross-flow velocity ratio. For specific choices of these parameters a 40% increase in momentum addition was observed. The experimental results were used to validate the modeling techniques. In general reasonable agreement between the modeling and experiment was observed in specific domains of the flow field.

  3. Automated method for determination of dissolved organic carbon-water distribution constants of structurally diverse pollutants using pre-equilibrium solid-phase microextraction.

    PubMed

    Ripszam, Matyas; Haglund, Peter

    2015-02-01

    Dissolved organic carbon (DOC) plays a key role in determining the environmental fate of semivolatile organic environmental contaminants. The goal of the present study was to develop a method using commercially available hardware to rapidly characterize the sorption properties of DOC in water samples. The resulting method uses negligible-depletion direct immersion solid-phase microextraction (SPME) and gas chromatography-mass spectrometry. Its performance was evaluated using Nordic reference fulvic acid and 40 priority environmental contaminants that cover a wide range of physicochemical properties. Two SPME fibers had to be used to cope with the span of properties, 1 coated with polydimethylsiloxane and 1 coated with polystyrene divinylbenzene polydimethylsiloxane, for nonpolar and semipolar contaminants, respectively. The measured DOC-water distribution constants showed reasonably good reproducibility (standard deviation ≤ 0.32) and good correlation (R(2)  = 0.80) with log octanol-water partition coefficients for nonpolar persistent organic pollutants. The sample pretreatment is limited to filtration, and the method is easy to adjust to different DOC concentrations. These experiments also utilized the latest SPME automation that largely decreases total cycle time (to 20 min or shorter) and increases sample throughput, which is advantageous in cases when many samples of DOC must be characterized or when the determinations must be performed quickly, for example, to avoid precipitation, aggregation, and other changes of DOC structure and properties. The data generated by this method are valuable as a basis for transport and fate modeling studies. PMID:25393710

  4. An Experimental Evaluation of Hyperactivity and Food Additives. 1977-Phase II.

    ERIC Educational Resources Information Center

    Harley, J. Preston; And Others

    Phase II of a study on the effectiveness of B. Feingold's recommended diet for hyperactive children involved the nine children (mean age 9 years) who had shown the "best" response to diet manipulation in Phase I. Each child served as his own control and was challenged with specified amounts of placebo and artificial color containing food items…

  5. Experimental and numerical investigations of the phase-shift effect in capacitively coupled discharges

    SciTech Connect

    Gao, Fei; Zhang, Yu-Ru; Zhao, Shu-Xia; Wang, You-Nian

    2014-08-15

    The phase-shift effect has been investigated by a Langmuir probe and a fluid model in Ar capacitively coupled plasmas at 50 mTorr. In the discharge, two sources with the same frequency, i.e., 27.12 MHz, are applied on the top and bottom electrodes simultaneously, and the phase shift between them varies from 0 to π. It is found that the electron density has an off-axis peak near the radial edge when the phase difference is equal to 0 due to the electrostatic edge effect, and the best radial uniformity is observed at a phase difference equal to π. Furthermore, when the voltage increases, the best radial uniformity is obtained at lower phase shift values. Moreover, the electron energy probability function has a bi-temperature structure at all the selected phase differences at r = 1–15 cm. The evolution of the plasma characteristics with the phase difference implies that the best radial uniformity can be obtained, by balancing the electrostatic edge effect and the phase shift effect.

  6. Chemical Principles Revisited: Chemical Equilibrium.

    ERIC Educational Resources Information Center

    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)

  7. Comparison between phase field simulations and experimental data from intragranular bubble growth in UO{sub 2}

    SciTech Connect

    Tonks, M. R.; Biner, S. B.; Mille, P. C.; Andersson, D. A.

    2013-07-01

    In this work, we used the phase field method to simulate the post-irradiation annealing of UO{sub 2} described in the experimental work by Kashibe et al., 1993 [1]. The simulations were carried out in 2D and 3D using the MARMOT FEM-based phase-field modeling framework. The 2-D results compared fairly well with the experiments, in spite of the assumptions made in the model. The 3-D results compare even more favorably to experiments, indicating that diffusion in all three directions must be considered to accurate represent the bubble growth. (authors)

  8. Development of Absolute Calibration of the Phase Contrast Imaging Diagnostic and Experimental Tests in Alcator C-Mod

    NASA Astrophysics Data System (ADS)

    Tsujii, N.; Porkolab, M.; Edlund, E. M.; Lin, L.

    2007-11-01

    The Phase Contrast Imaging (PCI) system in Alcator C-Mod is used to measure density perturbations from MHD modes, turbulence and RF waves. Recently, an absolutely calibrated system has been installed. This system consists of a set of transducers which cover frequency from 30 kHz to 200 kHz, and wavenumber from 5.5 cm-1 to 36.6 cm-1. The amplitude and phase of the transducer wavefronts are measured using a calibrated microphone. We will present the system design and modeling of this calibration system. Initial results, including a comparison with experimental measurements will also be discussed, if available.

  9. Numerical and experimental studies of coupling-induced phase shift in resonator and interferometric integrated optics devices.

    PubMed

    Tobing, L Y M; Tjahjana, L; Darmawan, S; Zhang, D H

    2012-02-27

    Coupling induced effects are higher order effects inherent in waveguide evanescent coupling that are known to spectrally distort optical performances of integrated optics devices formed by coupled resonators. We present both numerical and experimental studies of coupling-induced phase shift in various basic integrated optics devices. Rigorous finite difference time domain simulations and systematic experimental characterizations of different basic structures were conducted for more accurate parameter extraction, where it can be observed that coupling induced wave vector may change sign at the increasing gap separation. The devices characterized in this work were fabricated by CMOS-process 193 nm Deep UV (DUV) lithography in silicon-on-insulator (SOI) technology. PMID:22418385

  10. PHASE SEPARATION IN PM 2000 FE-BASE ODS ALLOY: EXPERIMENTAL STUDY AT THE ATOMIC LEVEL

    SciTech Connect

    Capdevila, C.; Miller, Michael K; Russell, Kaye F; Chao, J.; Gonzalez-Carrasco, J. L.

    2008-01-01

    The coarsening of the three-dimensional microstructure resulting from phase separation during ageing at 748 K of a Fe-based PM 2000{trademark} oxide dispersion strengthened (ODS) steel has been investigated by atom probe tomography and hardness measurements. Phase separation resulted in the formation of isolated particles of the chromium-enriched {alpha}{prime} phase. The aluminum and titanium were found to preferential partition to the iron-rich {alpha} phase. The partitioning of aluminum is consistent with theoretical calculations. The change in the scale of the chromium-enriched {alpha}{prime} phase was found to fit a power law with a time exponent of 0.32 in accordance with that predicted by the classical Lifshitz, Slyozov and Wagner (LSW) theory. The solute concentrations of the coexisting {alpha} and {alpha}{prime} phases were estimated from concentration frequency distributions with the Langer-Bar-on-Miller (LBM) method and proximity histograms. The hardness was linearly related to the chromium content of the {alpha}{prime} phase.

  11. Experimental and Theoretical Studies on a High Pressure Monoclinic Phase of Ammonia Borane

    SciTech Connect

    Lin, Yu; Ma, Hongwei; Matthews, Charles Wesley; Kolb, Brian; Sinogeikin, Stanislav; Thonhauser, Timo; Mao, Wendy L.

    2012-03-15

    The effect of pressure on the structure of ammonia borane NH{sub 3}BH{sub 3} (AB) was investigated using a combination of high pressure X-ray diffraction (XRD) and density functional theory (DFT). In situ XRD was performed up to 15.0 GPa at room temperature in a diamond anvil cell, and two first-order phase transitions were observed at 1.6 and 12.9 GPa. The ambient pressure I4mm structure transformed into the high pressure Cmc2{sub 1} phase at 1.6 GPa, and then experienced a second-order isostructural phase transition at 5 GPa, and further developed into a monoclinic P2{sub 1} (Z = 4) phase at 12.9 GPa. The structure of the high pressure P2{sub 1} phase was solved by powder diffraction data and further optimized using DFT calculations. The high pressure phase transitions were found to be reversible upon releasing pressure. The behavior of the N-H {hor_ellipsis} H-B dihydrogen bonding framework, inter- and intramolecular interactions at high pressure was also investigated. The origin of the phase transition at 12.9 GPa is attributed to the reorganization of the dihydrogen bonding network and the change in the rotational dynamics of the NH{sub 3} and BH{sub 3} groups.

  12. Computing Equilibrium Chemical Compositions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  13. Phase equilibrium in poly(rA).poly(rU) complexes with Cd2+ and Mg2+ ions, studied by ultraviolet, infrared, and vibrational circular dichroism spectroscopy.

    PubMed

    Blagoi, Yurii; Gladchenko, Galina; Nafie, Laurence A; Freedman, Teresa B; Sorokin, Victor; Valeev, Vladimir; He, Yanan

    2005-08-01

    Ultraviolet (UV) and infrared (IR) absorption and vibrational circular dichroism (VCD) spectroscopy were used to study conformational transitions in the double-stranded poly(rA). poly(rU) and its components-single-stranded poly(rA) and poly(rU) in buffer solution (pH 6.5) with 0.1M Na+ and different Mg2+ and Cd2+ (10(-6) to 10(-2) M) concentrations. Transitions were induced by elevated temperature that changed from 10 up to 96 degrees C. IR absorption and VCD spectra in the base-stretching region were obtained for duplex, triplex, and single-stranded forms of poly(rA) . poly(rU) at [Mg2+],[Cd2+]/[P] = 0.3. For single-stranded polynucleotides, the kind of conformational transition (ordering --> disordering --> compaction, aggregation) is conditioned by the dominating type of Me2+-polymer complex that in turn depends on the ion concentration range. The phase diagram obtained for poly(rA) . poly(rU) has a triple point ([Cd2+] approximately 10(-4)M) at which the helix-coil (2 --> 1) transition is replaced with a disproportion transition 2AU --> A2U + poly(rA) (2 --> 3) and the subsequent destruction of the triple helix (3 --> 1). The 2 --> 1 transitions occur in the narrow temperature interval of 2 degrees -5 degrees . Unlike 2 --> 1 and 3 --> 1 melting, the disproportion 2 --> 3 transition is a slightly cooperative one and observed over a wide temperature range. At [Me2+] approximately 10(-3) M, the temperature interval of A2U stability is not less than 20 degrees C. In the case of Cd2+, it increases with the rise of ion concentration due to the decrease of T(m) (2-->3). The T(m) (3-->1) value is practically unchanged up to [Cd2+] approximately 10(-3)M. Differences between diagrams for Mg(2+) and Cd2+ result from the various kinds of ion binding to poly(rA).poly-(rU) and poly(rA). PMID:15892121

  14. From "loose" to "dense" crystalline phases of calcium carbonate through "repulsive" interactions: an experimental charge-density study.

    PubMed

    Nelyubina, Yulia V; Lyssenko, Konstantin A

    2012-10-01

    Anion-anion interactions in an eggshell: experimental electron density analysis for two polymorphs of calcium carbonate revealed why the less stable form, aragonite, has higher density than the most stable form, calcite. Although believed to be exclusively repulsive, the interactions between anions cause them to bind more tightly in a crystal and thus make the aragonite phase denser than its calcite counterpart. PMID:22915456

  15. Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

    NASA Astrophysics Data System (ADS)

    Wu, Hao; Dong, Feng

    2014-04-01

    Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model.

  16. Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

    SciTech Connect

    Wu, Hao; Dong, Feng

    2014-04-11

    Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model.

  17. Experimental verification of dispersed fringe sensing as a segment phasing technique using the Keck telescope.

    PubMed

    Shi, Fang; Chanan, Gary; Ohara, Catherine; Troy, Mitchell; Redding, David C

    2004-08-10

    Dispersed fringe sensing (DFS) is an efficient and robust method for coarse phasing of segmented primary mirrors (from one quarter of a wavelength to as much as the depth of focus of a single segment, typically several tens of microns). Unlike phasing techniques currently used for ground-based segmented telescopes, DFS does not require the use of edge sensors in order to sense changes in the relative heights of adjacent segments; this makes it particularly well suited for phasing of space-borne segmented telescopes, such as the James Webb Space Telescope. We validate DFS by using it to measure the piston errors of the segments of one of the Keck telescopes. The results agree with those of the Shack-Hartmann-based phasing scheme currently in use at Keck to within 2% over a range of initial piston errors of +/-16 microm. PMID:15376423

  18. Hydrogen isotope systematics of phase separation in submarine hydrothermal systems: Experimental calibration and theoretical models

    USGS Publications Warehouse

    Berndt, M.E.; Seal, R.R., II; Shanks, Wayne C., III; Seyfried, W.E., Jr.

    1996-01-01

    Hydrogen isotope fractionation factors were measured for coexisting brines and vapors formed by phase separation of NaCl/H2O fluids at temperatures ranging from 399-450??C and pressures from 277-397 bars. It was found that brines are depleted in D compared to coexisting vapors at all conditions studied. The magnitude of hydrogen isotope fractionation is dependent on the relative amounts of Cl in the two phases and can be empirically correlated to pressure using the following relationship: 1000 ln ??(vap-brine) = 2.54(??0.83) + 2.87(??0.69) x log (??P), where ??(vap-brine) is the fractionation factor and ??P is a pressure term representing distance from the critical curve in the NaCl/H2O system. The effect of phase separation on hydrogen isotope distribution in subseafloor hydrothermal systems depends on a number of factors, including whether phase separation is induced by heating at depth or by decompression of hydrothermal fluids ascending to the seafloor. Phase separation in most subseafloor systems appears to be a simple process driven by heating of seawater to conditions within the two-phase region, followed by segregation and entrainment of brine or vapor into a seawater dominated system. Resulting vent fluids exhibit large ranges in Cl concentration with no measurable effect on ??D. Possible exceptions to this include hydrothermal fluids venting at Axial and 9??N on the East Pacific Rise. High ??D values of low Cl fluids venting at Axial are consistent with phase separation taking place at relatively shallow levels in the oceanic crust while negative ??D values in some low Cl fluids venting at 9??N suggest involvement of a magmatic fluid component or phase separation of D-depleted brines derived during previous hydrothermal activity.

  19. Experimental investigation of the Cu–Si phase diagram at x(Cu)>0.72

    PubMed Central

    Sufryd, Katarzyna; Ponweiser, Norbert; Riani, Paola; Richter, Klaus W.; Cacciamani, Gabriele

    2011-01-01

    Cu–Si phase equilibria have been investigated at compositions greater than 72 at.% Cu by X-ray diffraction, optical and electronic microscopy, electron probe microanalysis and differential thermal analysis. The general aspects of the phase equilibria already reported in literature have been substantially confirmed, but selected composition ranges and the nature of a few invariant equilibria have been modified. In particular stability ranges of the β, δ and η phases have been slightly modified as well as temperature and nature of the invariant equilibria related to the γ ⇄ δ transformation. Stability of the ɛ-(Cu15Si4) phase has been especially investigated concluding that it is thermodynamically stable but kinetically inhibited by nucleation difficulties which become especially effective when samples are synthesized in very high purity conditions. Crystal structure and composition ranges of the high temperature β and δ phases, despite difficulties by the non-quenchability of these phases, have been investigated by different methods including high temperature XRD. PMID:27087749

  20. Rapid and widely disseminated acute phase protein response after experimental bacterial infection of pigs

    PubMed Central

    Skovgaard, Kerstin; Mortensen, Shila; Boye, Mette; Poulsen, Karin T.; Campbell, Fiona M.; Eckersall, P. David; Heegaard, Peter M.H.

    2009-01-01

    The acute phase protein response is a well-described generalized early host response to tissue injury, inflammation and infection, observed as pronounced changes in the concentrations of a number of circulating serum proteins. The biological function of this response and its interplay with other parts of innate host defence reactions remain somewhat elusive. In order to gain new insight into this early host defence response in the context of bacterial infection we studied gene expression changes in peripheral lymphoid tissues as compared to hepatic expression changes, 14–18 h after lung infection in pigs. The lung infection was established with the pig specific respiratory pathogen Actinobacillus pleuropneumoniae. Quantitative real-time PCR based expression analysis were performed on samples from liver, tracheobronchial lymph node, tonsils, spleen and on blood leukocytes, supplemented with measurements of interleukin-6 and selected acute phase proteins in serum. C-reactive protein and serum amyloid A were clearly induced 14–18 h after infection. Extrahepatic expression of acute phase proteins was found to be dramatically altered as a result of the lung infection with an extrahepatic acute phase protein response occurring concomitantly with the hepatic response. This suggests that the acute phase protein response is a more disseminated systemic response than previously thought. The current study provides to our knowledge the first example of porcine extrahepatic expression and regulation of C-reactive protein, haptoglobin, fibrinogen, pig major acute phase protein, and transferrin in peripheral lymphoid tissues. PMID:19236838

  1. Experimental alveolitis in rats: microbiological, acute phase response and histometric characterization of delayed alveolar healing

    PubMed Central

    RODRIGUES, Moacyr Tadeu Vicente; CARDOSO, Camila Lopes; de CARVALHO, Paulo Sérgio Perri; CESTARI, Tânia Mary; FERES, Magda; GARLET, Gustavo Pompermaier; FERREIRA JÚNIOR, Osny

    2011-01-01

    The pathogenesis of alveolitis is not well known and therefore experimental situations that mimic some features of this disease should be developed. Objective In this study, the evolution of the experimentally induced infection in rat sockets is characterized, which leads to clinical signs of suppurative alveolitis with remarkable wound healing disturbs. Material and methods Non-infected (Group I) and experimentally infected sockets in Rattus novergicus (Group II) were histometrically evaluated regarding the kinetics of alveolar healing. In addition, the characterization of the present bacteria in inoculation material and the serum levels of C-reactive protein (CRP) were performed. The detected species were Capnocytophaga ochracea, Fusobacterium nucleatum ss nucleatum, Prevotella melaninogenica, Streptococcus anginosus, Treponema socranskii and Streptococcus sanguis. Results All experimentally infected rats developed suppurative alveolitis, showing higher levels of CRP in comparison to those non-infected ones. Furthermore, infected rats presented a significant delayed wound healing as measured by the histometric analysis (higher persistent polymorphonuclear infiltrate and lower density of newly formed bone). Conclusion These findings indicate that rat sockets with experimentally induced infection produced higher levels of serum CRP, showing the potential of disseminated infection and a disturb in the alveolar repair process in an interesting experimental model for alveolitis studies. PMID:21625744

  2. Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium

    NASA Astrophysics Data System (ADS)

    Chen, Chiping; Wei, Haofei

    2010-11-01

    Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.

  3. A Review of the Experimental and Modeling Development of a Water Phase Change Heat Exchanger for Future Exploration Support Vehicles

    NASA Technical Reports Server (NTRS)

    Cognata, Thomas; Leimkuehler, Thomas; Ramaswamy, Balasubramaniam; Nayagam, Vedha; Hasan, Mohammad; Stephan, Ryan

    2011-01-01

    Water affords manifold benefits for human space exploration. Its properties make it useful for the storage of thermal energy as a Phase Change Material (PCM) in thermal control systems, in radiation shielding against Solar Particle Events (SPE) for the protection of crew members, and it is indisputably necessary for human life support. This paper envisions a single application for water which addresses these benefits for future exploration support vehicles and it describes recent experimental and modeling work that has been performed in order to arrive at a description of the thermal behavior of such a system. Experimental units have been developed and tested which permit the evaluation of the many parameters of design for such a system with emphasis on the latent energy content, temperature rise, mass, and interstitial material geometry. The experimental results are used to develop a robust and well correlated model which is intended to guide future design efforts toward the multi-purposed water PCM heat exchanger envisioned.

  4. The achromatic chessboard, a new concept of a phase shifter for nulling interferometry. V. Experimental demonstration and performance

    NASA Astrophysics Data System (ADS)

    Pickel, D.; Pelat, D.; Rouan, D.; Reess, J.-M.; Chemla, F.; Cohen, M.; Dupuis, O.

    2013-10-01

    Context. To find evidence one day of life on extra solar planets, one will have to directly detect photons of the exoplanet to obtain spectra and to look for specific spectroscopic features. One possible technique is dark fringe interferometry with several telescopes in space. This type of interferometry requires an achromatic π phase shift in one arm of an interferometer. We have already presented a concept of a quasi-achromatic phase shifter that is made of two cellular mirrors in which each cell position and phase shift is specific, so that the behavior of the null depth as a function of the wavelength is flat within a broad range. Aims: We want to experimentally validate this concept of an achromatic phase shifter and measure its performance in two different cases: a transmissive mask, which is made in bulk optics that are machined with ion etching and a reflective one, which is made by using a commercial segmented deformable mirror that is properly controlled. Methods: We assembled a dedicated optical bench, nicknamed DAMNED, to assess the concept and characterize its performance in the visible and to determine the limitations of this phase shifter. We analyze its performance by comparing the experimental results with a numerical instrument model. Results: We tested several transmissive masks and a reflective one. We reached an attenuation of about 2 × 10-3 with a white source (Δλ = 430 to 830 nm) that proved to be the actual achromatic behavior of the phase shifter, despite its modest value. Extrapolated to mid-IR, its performance would be within typical specifications of a space mission as Darwin.

  5. Experimental Demonstration of Phase Modulation and Motion Sensing Using Graphene-Integrated Metasurfaces

    NASA Astrophysics Data System (ADS)

    Dabidian, Nima; Dutta-Gupta, Shourya; Kholmanov, Iskandar; Lai, Kueifu; Lu, Feng; Lee, Jongwon; Jin, Mingzhou; Trendafilov, Simeon; Khanikaev, Alexander; Fallahazad, Babak; Tutuc, Emanuel; Belkin, Mikhail A.; Shvets, Gennady

    2016-06-01

    Plasmonic metasurfaces are able to modify the wavefront by altering the light intensity, phase and polarization state. Active plasmonic metasurfaces would allow dynamic modulation of the wavefront which give rise to interesting application such as beam-steering, holograms and tunable waveplates. Graphene is an interesting material with dynamic property which can be controlled by electrical gating at an ultra-fast speed. We use a graphene-integrated metasurface to induce a tunable phase change to the wavefront. The metasurface supports a Fano resonance which produces high-quality resonances around 7.7 microns. The phase change is measured using a Michleson interferometry setup. It is shown that the reflection phase can change up to 55 degrees. In particular the phase can change by 28 degrees while the amplitude is nearly constant. The anisotropic optical response of the metasurface is used to modulate the ellipticity of the reflected wave in response to an incident field at 45 degree. We show a proof of concept application of our system in potentially ultra-fast laser interferometry with sub-micron accuracy.

  6. Design and experimental evaluation of an intracavitary ultrasound phased array system for hyperthermia.

    PubMed

    Buchanan, M T; Hynynen, K

    1994-12-01

    For evaluating the feasibility of treating prostate cancer, a 64-element linear ultrasound phased array applicator for intracavitary hyperthermia was designed and constructed. A 64-channel ultrasound driving system including amplifiers, phase shifters, and RF power meters was also developed to drive the array. The design of the array and driving equipment are presented, as are the results of acoustical field measurements and in vitro perfused phantom studies performed with the array. Several techniques for heating realistically sized tumor volumes were also investigated, including single focus scanning and two techniques for producing multiple stationary foci. The results show that the operation of the array correlated closely with the theoretical model. When producing a single stationary focus, the array was able to increase tissue temperature by 12 degrees C in vitro in perfused phantom. With some minor improvements in array design, intracavitary phased arrays could be evaluated in a clinical environment. PMID:7851919

  7. Equilibrium games in networks

    NASA Astrophysics Data System (ADS)

    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.

  8. Experimental demonstration of an active phase randomization and monitor module for quantum key distribution

    NASA Astrophysics Data System (ADS)

    Sun, Shi-Hai; Liang, Lin-Mei

    2012-08-01

    Phase randomization is a very important assumption in the BB84 quantum key distribution (QKD) system with weak coherent source; otherwise, eavesdropper may spy the final key. In this Letter, a stable and monitored active phase randomization scheme for the one-way and two-way QKD system is proposed and demonstrated in experiments. Furthermore, our scheme gives an easy way for Alice to monitor the degree of randomization in experiments. Therefore, we expect our scheme to become a standard part in future QKD systems due to its secure significance and feasibility.

  9. Experimental demonstration of tunable phase in a thermochromic infrared-reflectarray metamaterial.

    PubMed

    Shelton, D J; Coffey, K R; Boreman, G D

    2010-01-18

    For the first time, a tunable reflected phase reflectarray is demonstrated in the thermal infrared. This is done using thermochromic VO(2) square-patch elements in a reflectarray metamaterial configuration. A sixty degree change in reflected phase is measured using a Twyman-Green interferometer, and FTIR measurements show that the resonance reflection minima shifts from 9.2 to 11.2 mum as the sample is heated from 45 through 65 degrees C. These results are in agreement with finite-element method simulations using the optical properties of VO(2) which are measured by infrared ellipsometry. PMID:20173960

  10. Experimental magnetization evidence for two superconducting phases in Bi bicrystals with large crystallite disorientation angles

    SciTech Connect

    Muntyanu, F. M.; Gilewski, A.; Nenkov, K.; Warchulska, J.; Zaleski, A. J.

    2006-04-01

    Magnetization measurements prove that the magnetic properties of large-angle ({theta}>30 deg. ) bismuth bicrystals with a crystallite interface (CI) of twisting types essentially differ from well-known results on single-crystalline specimens. Two superconducting phases with T{sub c}{approx}8.4 K and {approx}4.3 K were observed at the CI of bicrystals while ordinary rhombohedral Bi is not a superconductor. We conclude that these phases have to do with the central part and the adjacent layers of the CI of bicrystals.

  11. Transient Features in Charge Fractionalization and Non-equilibrium Bosonization

    NASA Astrophysics Data System (ADS)

    Rosenow, Bernd; Schneider, Alexander; Milletari, Mirco

    2015-03-01

    In quantum Hall edge states and in other one-dimensional interacting systems, charge fractionalization can occur due to the fact that an injected charge pulse decomposes into eigenmodes propagating at different velocities. If the original charge pulse has some spatial width due to injection with a given source-drain voltage, a finite time is needed until the separation between the fractionalized pulses is larger than their width. In the formalism of non-equilibrium bosonization, the above physics is reflected in the separation of initially overlapping square pulses in the effective scattering phase. When expressing the single particle Green function as a functional determinant of counting operators containing the scattering phase, the time evolution of charge fractionalization is mathematically described by functional determinants with overlapping pulses. We develop a framework for the evaluation of such determinants, and compare our theoretical results with recent experimental findings. Supported by DFG Grant RO 2247/8-1.

  12. Advanced Communications Technology Satellite (ACTS). Phase 1: Industrial/academic experimenters

    NASA Technical Reports Server (NTRS)

    Maisel, James E.; Nowlin, Robert W.

    1992-01-01

    This report presents the work done at Arizona State University under the ACTS Experimenters Program. The main thrust of the Program was to develop experiments to test, evaluate, and prove the commercial worthiness of the ACTS satellite which is scheduled for launch in 1993. To accomplish this goal, meetings were held with various governmental, industrial, and academic units to discuss the ACTS satellite and its technology and possible experiments that would generate industrial interest and support for ASU's efforts. Several local industries generated several experiments of their own. The investigators submitted several experiments of educational, medical, commercial, and technical value and interest. The disposition of these experimental proposals is discussed in this report.

  13. Universality in equilibrium and away from it: A personal perspective

    SciTech Connect

    Munoz, Miguel A.

    2011-03-24

    In this talk/paper I discuss the concept of universality in phase transitions and the question of whether universality classes are more robust in equilibrium than away from it. In both of these situations, the main ingredients determining universality are symmetries, conservation laws, the dimension of the space and of the order-parameter and the presence of long-range interactions or quenched disorder. The existence of detailed-balance and fluctuation-dissipation theorems imposes severe constraints on equilibrium systems, allowing to define universality classes in a very robust way; instead, non-equilibrium allows for more variability. Still, quite robust non-equilibrium universality classes have been identified in the last decades. Here, I discuss some examples in which (i) non-equilibrium phase transitions are simply controlled by equilibrium critical points, i.e. non-equilibrium ingredients turn out to be irrelevant in the renormalization group sense and (ii) non-equilibrium situations in which equilibrium seems to come out of the blue, generating an adequate effective description of intrinsically non-equilibrium problems. Afterwards, I shall describe different genuinely non-equilibrium phase transitions in which introducing small, apparently innocuous changes (namely: presence or absence of an underlying lattice, parity conservation in the overall number of particles, existence of an un-accessible vacuum state, deterministic versus stochastic microscopic rules, presence or absence of a Fermionic constraint), the critical behavior is altered, making the case for lack of robustness. However, it will be argued that in all these examples, there is an underlying good reason (in terms of general principles) for universality to be altered. The final conclusions are that: (i) robust universality classes exist both in equilibrium and non-equilibrium; (ii) symmetry and conservation principles are crucial in both, (iii) non-equilibrium allows for more variability (i

  14. Gravity-destabilized nonwetting phase invasion in macro-heterogeneous porous media: Experimental observations of invasion dynamics and scale analysis

    SciTech Connect

    GLASS JR.,ROBERT J.; CONRAD,STEPHEN H.; PEPLINSKI,WILLIAM J.

    1999-02-16

    The authors designed and conducted experiments in a heterogeneous sand pack where gravity-destabilized nonwetting phase invasion (CO{sub 2} and TCE) could be recorded using high resolution light transmission methods. The heterogeneity structure was designed to be reminiscent of fluvial channel lag cut-and-fill architecture and contain a series of capillary barriers. As invasion progressed, nonwetting phase structure developed a series of fingers and pools; behind the growing front they found nonwetting phase saturation to pulsate in certain regions when viscous forces were low. Through a scale analysis, they derive a series of length scales that describe finger diameter, pool height and width, and regions where pulsation occurs within a heterogeneous porous medium. In all cases, they find that the intrinsic pore scale nature of the invasion process and resulting structure must be incorporated into the analysis to explain experimental results. The authors propose a simple macro-scale structural growth model that assembles length scales for sub-structures to delineate nonwetting phase migration from a source into a heterogeneous domain. For such a model applied at the field scale for DNAPL migration, they expect capillary and gravity forces within the complex subsurface lithology to play the primary roles with viscous forces forming a perturbation on the inviscid phase structure.

  15. An Experimental Review of Basic Combat Rifle Marksmanship: MARKSMAN, Phase 1.

    ERIC Educational Resources Information Center

    Dees, James W.; And Others

    Commanding officers in Vietnam and others have indicated that individual rifle marksmanship training needed attention. Furthermore, no comprehensive, systematic study of Army rifle marksmanship has been conducted since the Work Unit TRAINFIRE studies conducted by HumRRO in 1954. Phase 1 of the MARKSMAN research dealt with basic rifle marksmanship.…

  16. An experimental investigation of two-phase crossflow over rigidly and flexibly mounted tubes

    SciTech Connect

    Gerhart, S.M.

    1991-12-31

    Two-phase crossflow over heat exchanger tubes induces vibrations which contribute greatly to the wear on the tubes. Of the three mechanisms leading to two-phase flow-induced vibrations which have been identified, fluid-elastic instability has been recognized as that which leads to the vibrations with the largest amplitude. The mass damping parameter is used to predict the onset of fluid-elastic instability, and the mean drag coefficient is used to calculate the mass damping parameter. In this thesis, the drag coefficient measured over single tubes and tubes within array, in single-phase and two-phase flow at various Reynolds numbers, is discussed. The drag coefficient was measured by two methods. For flexibly mounted tubes, strain gages were mounted on cantilever beams which held the tube in place and allowed it to vibrate in the direction parallel to the flow only. For both rigidly and flexibly mounted tubes, pressure distributions were measured around the perimeter of the tube. Forces, and then the drag coefficient, could be calculated from this information. The drag coefficient was not found to depend upon the flexibility of the tube mounting. As the void fraction of the flow increases, the drag coefficient over the tube increases. This effect was found to be quite large at low Reynolds numbers, and weaker at higher Reynolds numbers, and a different effect was found at very high Reynolds numbers.

  17. COMPARING SIMULATED AND EXPERIMENTAL HYSTERETIC TWO- PHASE TRANSIENT FLUID FLOW PHENOMENA

    EPA Science Inventory

    A hysteretic model for two-phase permeability (k)-saturation (S)-pressure (P) relations is outlined that accounts for effects of nonwetting fluid entrapment. The model can be employed in unsaturated fluid flow computer codes to predict temporal and spatial fluid distributions. Co...

  18. Phase-Elective English: An Experimental Program for Grades Eleven and Twelve, East Hardin High School.

    ERIC Educational Resources Information Center

    Hardin County Board of Education, Elizabethtown, KY.

    Course descriptions, achievement levels, objectives, suggested required and supplementary materials, course outlines, time allotments, suggested teaching approaches, film and book lists, and bibliographies for teachers are provided for each of 25 elective English courses which are phased on five levels for high school juniors and seniors. Each…

  19. Phase Behavior Modeling of Asphaltene Precipitation for Heavy Crudes: A Promising Tool Along with Experimental Data

    NASA Astrophysics Data System (ADS)

    Tavakkoli, M.; Kharrat, R.; Masihi, M.; Ghazanfari, M. H.; Fadaei, S.

    2012-12-01

    Thermodynamic modeling is known as a promising tool for phase behavior modeling of asphaltene precipitation under different conditions such as pressure depletion and CO2 injection. In this work, a thermodynamic approach is used for modeling the phase behavior of asphaltene precipitation. The precipitated asphaltene phase is represented by an improved solid model, while the oil and gas phases are modeled with an equation of state. The PR-EOS was used to perform flash calculations. Then, the onset point and the amount of precipitated asphaltene were predicted. A computer code based on an improved solid model has been developed and used for predicting asphaltene precipitation data for one of Iranian heavy crudes, under pressure depletion and CO2 injection conditions. A significant improvement has been observed in predicting the asphaltene precipitation data under gas injection conditions. Especially for the maximum value of asphaltene precipitation and for the trend of the curve after the peak point, good agreement was observed. For gas injection conditions, comparison of the thermodynamic micellization model and the improved solid model showed that the thermodynamic micellization model cannot predict the maximum of precipitation as well as the improved solid model. The non-isothermal improved solid model has been used for predicting asphaltene precipitation data under pressure depletion conditions. The pressure depletion tests were done at different levels of temperature and pressure, and the parameters of a non-isothermal model were tuned using three onset pressures at three different temperatures for the considered crude. The results showed that the model is highly sensitive to the amount of solid molar volume along with the interaction coefficient parameter between the asphaltene component and light hydrocarbon components. Using a non-isothermal improved solid model, the asphaltene phase envelope was developed. It has been revealed that at high temperatures, an

  20. Airlift bioreactors: Experimental and theoretical analysis or two-phase hydrodynamics

    SciTech Connect

    Young, M.A.

    1989-01-01

    Local two-phase flow measurements were obtained in a pilot-scale, external loop airlift bioreactor. The gas-liquid system was air and water; the gas phase was not recirculated. Sparging rates ranged from 1.0-8.0 cm/s, using a multiorifice, ring sparger. The axial dependence of the cross sectionally averaged gas volume fraction was determined using a track-mounted gamma densitometer. Hot-film anemometry was used to measure the radial and azimuthal dependence of the liquid velocity and turbulence for two axial riser locations. The same spatial dependence was ascertained for the gas velocity and volume fraction using resistivity probe techniques. The axial distribution of liquid phase pressure was measured with precision inclined manometers. The axial dependence of the void fraction was found to be modest. The radial dependence of the gas and liquid velocities and the void fraction was substantial, especially near the sparger. Local property changes with azimuthal position were small, and the flow may be characterized as being azimuthally symmetric. The developing flow effects were pronounced, as evidenced by the distinct changes in the radial profiles of fluid flow properties with axial position. Under certain operating conditions, liquid acceleration effects near the sparger resulted in greatly reduced slip velocities. For the two-phase riser flow, a model was developed directly from the point equations of continuity and motion, resulting in a differential, two-fluid form. Macroscopic mechanical energy balance equations were used to describe the flow in the gas-liquid separator and the downcomer. The model incorporates empirical parameters for the frictional effects only. The developing two-phase flow characteristic of airlift risers was observed to create large frictional effects at the wall.