Mixed Ionic Liquid Improves Electrolyte Dynamics in Supercapacitors

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

Osti, Naresh C.; Gallegos, Alejandro; Dyatkin, Boris

Well-tailored mixtures of distinct ionic liquids can act as optimal electrolytes that extend the operating electrochemical window and improve charge storage density in supercapacitors. Here, we explore two room-temperature ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimTFSI) and 1-ethyl-3-methylimidazolium tetrafluoroborate (EmimBF 4). We study their electric double-layer behavior in the neat state and as binary mixtures on the external surfaces of onion-like carbon electrodes using quasielastic neutron scattering (QENS) and classical density functional theory techniques. Computational results reveal that a mixture with 4:1 EmimTFSI/EmimBF 4 volume ratio displaces the larger [TFSI –] anions with smaller [BF 4 –] ions, leading to an excessmore » adsorption of [Emim +] cations near the electrode surface. These findings are corroborated by the manifestation of nonuniform ion diffusivity change, complementing the description of structural modifications with changing composition, from QENS measurements. In conclusion, molecular-level understanding of ion packing near electrodes provides insight for design of ionic liquid formulations that enhance the performance of electrochemical energy storage devices.« less

Mixed Ionic Liquid Improves Electrolyte Dynamics in Supercapacitors

DOE PAGES

Osti, Naresh C.; Gallegos, Alejandro; Dyatkin, Boris; ...

2018-04-19

Well-tailored mixtures of distinct ionic liquids can act as optimal electrolytes that extend the operating electrochemical window and improve charge storage density in supercapacitors. Here, we explore two room-temperature ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimTFSI) and 1-ethyl-3-methylimidazolium tetrafluoroborate (EmimBF 4). We study their electric double-layer behavior in the neat state and as binary mixtures on the external surfaces of onion-like carbon electrodes using quasielastic neutron scattering (QENS) and classical density functional theory techniques. Computational results reveal that a mixture with 4:1 EmimTFSI/EmimBF 4 volume ratio displaces the larger [TFSI –] anions with smaller [BF 4 –] ions, leading to an excessmore » adsorption of [Emim +] cations near the electrode surface. These findings are corroborated by the manifestation of nonuniform ion diffusivity change, complementing the description of structural modifications with changing composition, from QENS measurements. In conclusion, molecular-level understanding of ion packing near electrodes provides insight for design of ionic liquid formulations that enhance the performance of electrochemical energy storage devices.« less

Concentration dependence of electrical resistivity of binary liquid alloy HgZn: Ab-initio study

NASA Astrophysics Data System (ADS)

Sharma, Nalini; Thakur, Anil; Ahluwalia, P. K.

2013-06-01

The electrical resistivity of HgZn liquid alloy has been made calculated using Troullier and Martins ab-initio pseudopotential as a function of concentration. Hard sphere diameters of Hg and Zn are obtained through the inter-ionic pair potential have been used to calculate partial structure factors. Considering the liquid alloy to be a ternary mixture Ziman's formula for calculating the resistivity of binary liquid alloys, modified for complex formation, has been used. These results suggest that ab-initio approach for calculating electrical resistivity is quite successful in explaining the electronic transport properties of binary Liquid alloys.

Proper-motion age dating of the progeny of Nova Scorpii AD 1437.

PubMed

Shara, M M; Iłkiewicz, K; Mikołajewska, J; Pagnotta, A; Bode, M F; Crause, L A; Drozd, K; Faherty, J; Fuentes-Morales, I; Grindlay, J E; Moffat, A F J; Pretorius, M L; Schmidtobreick, L; Stephenson, F R; Tappert, C; Zurek, D

2017-08-30

'Cataclysmic variables' are binary star systems in which one star of the pair is a white dwarf, and which often generate bright and energetic stellar outbursts. Classical novae are one type of outburst: when the white dwarf accretes enough matter from its companion, the resulting hydrogen-rich atmospheric envelope can host a runaway thermonuclear reaction that generates a rapid brightening. Achieving peak luminosities of up to one million times that of the Sun, all classical novae are recurrent, on timescales of months to millennia. During the century before and after an eruption, the 'novalike' binary systems that give rise to classical novae exhibit high rates of mass transfer to their white dwarfs. Another type of outburst is the dwarf nova: these occur in binaries that have stellar masses and periods indistinguishable from those of novalikes but much lower mass-transfer rates, when accretion-disk instabilities drop matter onto the white dwarfs. The co-existence at the same orbital period of novalike binaries and dwarf novae-which are identical but for their widely varying accretion rates-has been a longstanding puzzle. Here we report the recovery of the binary star underlying the classical nova eruption of 11 March AD 1437 (refs 12, 13), and independently confirm its age by proper-motion dating. We show that, almost 500 years after a classical-nova event, the system exhibited dwarf-nova eruptions. The three other oldest recovered classical novae display nova shells, but lack firm post-eruption ages, and are also dwarf novae at present. We conclude that many old novae become dwarf novae for part of the millennia between successive nova eruptions.

Phase relations in the system NaCl-KCl-H2O: V. Thermodynamic-PTX analysis of solid-liquid equilibria at high temperatures and pressures

USGS Publications Warehouse

Sterner, S.M.; Chou, I.-Ming; Downs, R.T.; Pitzer, Kenneth S.

1992-01-01

The Gibbs energies of mixing for NaCl-KCl binary solids and liquids and solid-saturated NaCl-KCl-H2O ternary liquids were modeled using asymmetric Margules treatments. The coefficients of the expressions were calibrated using an extensive array of binary solvus and solidus data, and both binary and ternary liquidus data. Over the PTX range considered, the system exhibits complete liquid miscibility among all three components and extensive solid solution along the anhydrous binary. Solid-liquid and solid-solid phase equilibria were calculated by using the resulting equations and invoking the equality of chemical potentials of NaCl and KCl between appropriate phases at equilibrium. The equations reproduce the ternary liquidus and predict activity coefficients for NaCl and KCl components in the aqueous liquid under solid-saturation conditions between 673 and 1200 K from vapor saturation up to 5 kbar. In the NaCl-KCl anhydrous binary system, the equations describe phase equilibria and predict activity coefficients of the salt components for all stable compositions of solid and liquid phases between room temperature and 1200 K and from 1 bar to 5 kbar. ?? 1992.

Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems

NASA Astrophysics Data System (ADS)

Kundin, Julia; Choudhary, Muhammad Ajmal

2016-07-01

The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007), 10.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (re) and the minimization of the interfacial energy (rs). The comparison of the results based on both radii shows that the difference re-rs is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius rs, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

Ab-initio study of liquid systems: Concentration dependence of electrical resistivity of binary liquid alloy Rb1-xCsx

NASA Astrophysics Data System (ADS)

Thakur, Anil; Sharma, Nalini; Chandel, Surjeet; Ahluwalia, P. K.

2013-02-01

The electrical resistivity (ρL) of Rb1-XCsX binary alloys has been made calculated using Troullier Martins ab-initio pseudopotentials. The present results of the electrical resistivity (ρL) of Rb1-XCsX binary alloys have been found in good agreement with the experimental results. These results suggest that ab-initio approach for calculating electrical resistivity is quite successful in explaining the electronic transport properties of binary Liquid alloys. Hence ab-initio pseudopotentials can be used instead of model pseudopotentials having problem of transferability.

Solidification phenomena of binary organic mixtures

NASA Technical Reports Server (NTRS)

Chang, K.

1982-01-01

The coalescence rates and motion of liquid bubbles in binary organic mixtures were studied. Several factors such as temperature gradient, composition gradient, interfacial tension, and densities of the two phases play important roles in separation of phases of immiscible liquids. An attempt was made to study the effect of initial compositions on separation rates of well-dispersed organic mixtures at different temperatures and, ultimately, on the homogeneity of solidification of the immiscible binary organic liquids. These organic mixtures serve as models for metallic pseudo binary systems under study. Two specific systems were investigated: ethyl salicylate - diethyl glycol and succinonitrile - water.

Self-diffusion Coefficient and Structure of Binary n-Alkane Mixtures at the Liquid-Vapor Interfaces.

PubMed

Chilukoti, Hari Krishna; Kikugawa, Gota; Ohara, Taku

2015-10-15

The self-diffusion coefficient and molecular-scale structure of several binary n-alkane liquid mixtures in the liquid-vapor interface regions have been examined using molecular dynamics simulations. It was observed that in hexane-tetracosane mixture hexane molecules are accumulated in the liquid-vapor interface region and the accumulation intensity decreases with increase in a molar fraction of hexane in the examined range. Molecular alignment and configuration in the interface region of the liquid mixture change with a molar fraction of hexane. The self-diffusion coefficient in the direction parallel to the interface of both tetracosane and hexane in their binary mixture increases in the interface region. It was found that the self-diffusion coefficient of both tetracosane and hexane in their binary mixture is considerably higher in the vapor side of the interface region as the molar fraction of hexane goes lower, which is mostly due to the increase in local free volume caused by the local structure of the liquid in the interface region.

Dielectric properties of grain-grainboundary binary system

NASA Astrophysics Data System (ADS)

Cheng, Peng-Fei; Li, Sheng-Tao; Wang, Hui

2014-09-01

Dielectric properties of grain-grainboundary binary system are analyzed theoretically and compared with unary system and classical Maxwell-Wagner (MW) polarization in binary system. It is found that MW polarization appears at higher frequency compared with intrinsic polarization for grain-grainboundary binary system, which is abnormal compared with classical dielectric theory. This dielectric anomaly is premised on the existence of electronic relaxation at grainboundary. The origin of giant dielectric constant of CaCu3Ti4O12 (CCTO) ceramics is also investigated on the basis of the theoretical results. It is proposed that low frequency relaxation originates from electronic relaxation of oxygen vacancy at depletion layer, while high frequency relaxation comes from MW polarization. The results of this paper offer a quantitative identification of MW polarization from intrinsic polarization at grainboundary and a judgment of the mechanism and location of a certain polarization in grain-grainboundary binary system.

Resonant Transneptunian Binaries: Evidence for Slow Migration of Neptune

NASA Technical Reports Server (NTRS)

Noll, Keith S.; Grundy, W. M.; Schlichting, H. E.; Murray-Clay, R. A.; Benecchi, S. B.

2012-01-01

As Neptune migrated, its mean-motion resonances preceded it into the planetesimal disk. The efficiency of capture into mean motion resonances depends on the smoothness of Neptune's migration and the local population available to be captured. The two strongest resonances, the 3:2 at 39.4 AU and 2:1 at 47.7 AU, straddle the core repository of the physically distinct and binary-rich Cold Classicals, providing a unique opportunity to test the details of Neptune's migration. Smooth migration should result in a measurable difference between the 3:2 and 2:1 resonant object properties, with low inclination 2:1s having a high fraction of red binaries, mirroring that of the Cold Classicals while the 3:2 will would have fewer binaries. Rapid migration would generate a more homogeneous result. Resonant objects observed with HST show a higher rate of binaries in the 2:1 relative to the 3:2, significant at the 2cr level. This suggests slow Neptune migration over a large enough distance that the 2:1 swept through the Cold Classical region. Colors are available for only a fraction of these targets but a prevalence of red objects in outer Resonances has been reported. We report here on ongoing observations with HST in cycle 19 targeting all unobserved Resonants with observations that will measure color and search for binary companions using the WFC3.

Vapor condensation onto a non-volatile liquid drop

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

Inci, Levent; Bowles, Richard K., E-mail: richard.bowles@usask.ca

2013-12-07

Molecular dynamics simulations of miscible and partially miscible binary Lennard–Jones mixtures are used to study the dynamics and thermodynamics of vapor condensation onto a non-volatile liquid drop in the canonical ensemble. When the system volume is large, the driving force for condensation is low and only a submonolayer of the solvent is adsorbed onto the liquid drop. A small degree of mixing of the solvent phase into the core of the particles occurs for the miscible system. At smaller volumes, complete film formation is observed and the dynamics of film growth are dominated by cluster-cluster coalescence. Mixing into the coremore » of the droplet is also observed for partially miscible systems below an onset volume suggesting the presence of a solubility transition. We also develop a non-volatile liquid drop model, based on the capillarity approximations, that exhibits a solubility transition between small and large drops for partially miscible mixtures and has a hysteresis loop similar to the one observed in the deliquescence of small soluble salt particles. The properties of the model are compared to our simulation results and the model is used to study the formulation of classical nucleation theory for systems with low free energy barriers.« less

Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Puosi, F.; Jakse, N.; Pasturel, A.

2018-04-01

As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

Phase equilibrium measurements on twelve binary mixtures

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

Giles, N.F.; Wilson, H.L.; Wilding, W.V.

1996-11-01

Phase equilibrium measurements have been performed on twelve binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following binary systems at two temperatures each: ethanethiol + propylene; nitrobenzene + methanol; pyridine + ethyl acetate; octane + tert-amyl methyl ether; diisopropyl ether + butane; 1,3-dichloro-2-propanol + epichlorohydrin; 2,3-dichloro-1-propanol + epichlorohydrin; 2,3-epoxy-1-propanol + epichlorohydrin; 3-chloro-1,2-propanediol + epichlorohydrin; methanol + hydrogen cyanide. For these systems, equilibrium vapor and liquid phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson, NRTL, or Redlich-Kister activity coefficient model tomore » represent the liquid phase. The infinite dilution activity coefficient of methylamine in N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone-rich half of the binary. Liquid-liquid equilibrium studies were made on the triethylene glycol + 1-pentene system at two temperatures by directly analyzing samples taken from each liquid phase.« less

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

Binary Orbits as the Driver of Gamma-Ray Emission and Mass Ejection in Classical Novae

NASA Technical Reports Server (NTRS)

Chomiuk, Laura; Linford, Justin D.; Yang, Jun; O'Brien, T. J.; Paragi, Zsolt; Mioduszewski, Amy J.; Beswick, R. J.; Cheung, C. C.; Mukai, Koji; Nelson, Thomas

2014-01-01

Classical novae are the most common astrophysical thermonuclear explosions, occurring on the surfaces of white dwarf stars accreting gas from companions in binary star systems. Novae typically expel about 10 (sup -4) solar masses of material at velocities exceeding 1,000 kilometers per second.However, the mechanism of mass ejection in novae is poorly understood, and could be dominated by the impulsive flash of thermonuclear energy, prolonged optically thick winds or binary interaction with the nova envelope. Classical novae are now routinely detected at giga-electronvolt gamma-ray wavelengths, suggesting that relativistic particles are accelerated by strong shocks in the ejecta. Here we report high-resolution radio imaging of the gamma-ray-emitting nova V959 Mon. We find that its ejecta were shaped by the motion of the binary system: some gas was expelled rapidly along the poles as a wind from the white dwarf, while denser material drifted out along the equatorial plane, propelled by orbital motion..At the interface between the equatorial and polar regions, we observe synchrotron emission indicative of shocks and relativistic particle acceleration, thereby pinpointing the location of gamma-ray production. Binary shaping of the nova ejecta and associated internal shocks are expected to be widespread among novae, explaining why many novae are gamma-ray emitters.

Temperature dependent structural and dynamical properties of liquid Cu80Si20 binary alloy

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Shah, A. K.; Gajjar, P. N.

2018-05-01

Ashcroft and Langreth binary structure factor have been used to study for pair correlation function and the study of dynamical variable: velocity auto correlation functions, power spectrum and mean square displacement calculated based on the static harmonic well approximation in liquid Cu80Si20 binary alloy at wide temperature range (1140K, 1175K, 1210K, 1250K, 1373K, 1473K.). The effective interaction for the binary alloy is computed by our well established local pseudopotential along with the exchange and correction functions Sarkar et al(S). The negative dip in velocity auto correlation decreases as the various temperature is increases. For power spectrum as temperature increases, the peak of power spectrum shifts toward lower ω. Good agreement with the experiment is observed for the pair correlation functions. Velocity auto correlation showing the transferability of the local pseudopotential used for metallic liquid environment in the case of copper based binary alloys.

Binary Solid-Liquid Phase Equilibria

ERIC Educational Resources Information Center

Ellison, Herbert R.

1978-01-01

Indicates some of the information that may be obtained from a binary solid-liquid phase equilibria experiment and a method to write a computer program that will plot an ideal phase diagram to which the experimental results may be compared. (Author/CP)

Organosilica Membrane with Ionic Liquid Properties for Separation of Toluene/H₂ Mixture.

PubMed

Hirota, Yuichiro; Maeda, Yohei; Yamamoto, Yusuke; Miyamoto, Manabu; Nishiyama, Norikazu

2017-08-03

In this study, we present a new concept in chemically stabilized ionic liquid membranes: an ionic liquid organosilica (ILOS) membrane, which is an organosilica membrane with ionic liquid-like properties. A silylated ionic liquid was used as a precursor for synthesis. The permselectivity, permeation mechanism, and stability of the membrane in the H₂/toluene binary system were then compared with a supported ionic liquid membrane. The membrane showed a superior separation factor of toluene/H₂ (>17,000) in a binary mixture system based on a solution-diffusion mechanism with improved durability over the supported ionic liquid membrane.

Free energy of formation of a crystal nucleus in incongruent solidification: Implication for modeling the crystallization of aqueous nitric acid droplets in polar stratospheric clouds

NASA Astrophysics Data System (ADS)

Djikaev, Yuri S.; Ruckenstein, Eli

2017-04-01

Using the formalism of classical thermodynamics in the framework of the classical nucleation theory, we derive an expression for the reversible work W* of formation of a binary crystal nucleus in a liquid binary solution of non-stoichiometric composition (incongruent crystallization). Applied to the crystallization of aqueous nitric acid droplets, the new expression more adequately takes account of the effects of nitric acid vapor compared to the conventional expression of MacKenzie, Kulmala, Laaksonen, and Vesala (MKLV) [J. Geophys. Res.: Atmos. 102, 19729 (1997)]. The predictions of both MKLV and modified expressions for the average liquid-solid interfacial tension σls of nitric acid dihydrate (NAD) crystals are compared by using existing experimental data on the incongruent crystallization of aqueous nitric acid droplets of composition relevant to polar stratospheric clouds (PSCs). The predictions for σls based on the MKLV expression are higher by about 5% compared to predictions based on our modified expression. This results in similar differences between the predictions of both expressions for the solid-vapor interfacial tension σsv of NAD crystal nuclei. The latter can be obtained by using the method based on the analysis of experimental data on crystal nucleation rates in aqueous nitric acid droplets; it exploits the dominance of the surface-stimulated mode of crystal nucleation in small droplets and its negligibility in large ones. Applying that method to existing experimental data, our expression for the free energy of formation provides an estimate for σsv of NAD in the range ≈92 dyn/cm to ≈100 dyn/cm, while the MKLV expression predicts it in the range ≈95 dyn/cm to ≈105 dyn/cm. The predictions of both expressions for W* become identical for the case of congruent crystallization; this was also demonstrated by applying our method for determining σsv to the nucleation of nitric acid trihydrate crystals in PSC droplets of stoichiometric composition.

Electrical resistivity of Al-Cu liquid binary alloy

NASA Astrophysics Data System (ADS)

Thakor, P. P.; Patel, J. J.; Sonvane, Y. A.; Jani, A. R.

2013-06-01

Present paper deals with the electrical resistivity (ρ) of liquid Al-Cu binary alloy. To describe electron-ion interaction we have used our parameter free model potential along with Faber-Ziman formulation combined with Ashcroft-Langreth (AL) partial structure factor. To see the influence of exchange and correlation effect, Hartree, Taylor and Sarkar et al local field correlation functions are used. From present results, it is seen that good agreements between present results and experimental data have been achieved. Lastly we conclude that our model potential successfully produces the data of electrical resistivity (ρ) of liquid Al-Cu binary alloy.

Rényi entropy measure of noise-aided information transmission in a binary channel.

PubMed

Chapeau-Blondeau, François; Rousseau, David; Delahaies, Agnès

2010-05-01

This paper analyzes a binary channel by means of information measures based on the Rényi entropy. The analysis extends, and contains as a special case, the classic reference model of binary information transmission based on the Shannon entropy measure. The extended model is used to investigate further possibilities and properties of stochastic resonance or noise-aided information transmission. The results demonstrate that stochastic resonance occurs in the information channel and is registered by the Rényi entropy measures at any finite order, including the Shannon order. Furthermore, in definite conditions, when seeking the Rényi information measures that best exploit stochastic resonance, then nontrivial orders differing from the Shannon case usually emerge. In this way, through binary information transmission, stochastic resonance identifies optimal Rényi measures of information differing from the classic Shannon measure. A confrontation of the quantitative information measures with visual perception is also proposed in an experiment of noise-aided binary image transmission.

Birthdays and the Binary System: A Magical Mixture.

ERIC Educational Resources Information Center

Karp, Karen S.; Ronau, Robert N.

1997-01-01

Presents an activity involving the use of students' birth dates. Activity includes a classic binary representation of numerical values. In the Green Machine, Sorting Cards, and Window Cards, students observe, describe, and analyze patterns. (PVD)

Thermodynamic properties for applications in chemical industry via classical force fields.

PubMed

Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

2012-01-01

Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

Widom Lines in Binary Mixtures of Supercritical Fluids.

PubMed

Raju, Muralikrishna; Banuti, Daniel T; Ma, Peter C; Ihme, Matthias

2017-06-08

Recent experiments on pure fluids have identified distinct liquid-like and gas-like regimes even under supercritical conditions. The supercritical liquid-gas transition is marked by maxima in response functions that define a line emanating from the critical point, referred to as Widom line. However, the structure of analogous state transitions in mixtures of supercritical fluids has not been determined, and it is not clear whether a Widom line can be identified for binary mixtures. Here, we present first evidence for the existence of multiple Widom lines in binary mixtures from molecular dynamics simulations. By considering mixtures of noble gases, we show that, depending on the phase behavior, mixtures transition from a liquid-like to a gas-like regime via distinctly different pathways, leading to phase relationships of surprising complexity and variety. Specifically, we show that miscible binary mixtures have behavior analogous to a pure fluid and the supercritical state space is characterized by a single liquid-gas transition. In contrast, immiscible binary mixture undergo a phase separation in which the clusters transition separately at different temperatures, resulting in multiple distinct Widom lines. The presence of this unique transition behavior emphasizes the complexity of the supercritical state to be expected in high-order mixtures of practical relevance.

Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.

PubMed

Jacquemin, Johan; Bendová, Magdalena; Sedláková, Zuzana; Blesic, Marijana; Holbrey, John D; Mullan, Claire L; Youngs, Tristan G A; Pison, Laure; Wagner, Zdeněk; Aim, Karel; Costa Gomes, Margarida F; Hardacre, Christopher

2012-05-14

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Isobaric vapor-liquid equilibria for binary systems α-phenylethylamine + toluene and α-phenylethylamine + cyclohexane at 100 kPa

NASA Astrophysics Data System (ADS)

Wu, Xiaoru; Gao, Yingyu; Ban, Chunlan; Huang, Qiang

2016-09-01

In this paper the results of the vapor-liquid equilibria study at 100 kPa are presented for two binary systems: α-phenylethylamine(1) + toluene (2) and (α-phenylethylamine(1) + cyclohexane(2)). The binary VLE data of the two systems were correlated by the Wilson, NRTL, and UNIQUAC models. For each binary system the deviations between the results of the correlations and the experimental data have been calculated. For the both binary systems the average relative deviations in temperature for the three models were lower than 0.99%. The average absolute deviations in vapour phase composition (mole fractions) and in temperature T were lower than 0.0271 and 1.93 K, respectively. Thermodynamic consistency has been tested for all vapor-liquid equilibrium data by the Herrington method. The values calculated by Wilson and NRTL equations satisfied the thermodynamics consistency test for the both two systems, while the values calculated by UNIQUAC equation didn't.

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

What Is a Simple Liquid?

NASA Astrophysics Data System (ADS)

Ingebrigtsen, Trond S.; Schrøder, Thomas B.; Dyre, Jeppe C.

2012-01-01

This paper is an attempt to identify the real essence of simplicity of liquids in John Locke’s understanding of the term. Simple liquids are traditionally defined as many-body systems of classical particles interacting via radially symmetric pair potentials. We suggest that a simple liquid should be defined instead by the property of having strong correlations between virial and potential-energy equilibrium fluctuations in the NVT ensemble. There is considerable overlap between the two definitions, but also some notable differences. For instance, in the new definition simplicity is not a direct property of the intermolecular potential because a liquid is usually only strongly correlating in part of its phase diagram. Moreover, not all simple liquids are atomic (i.e., with radially symmetric pair potentials) and not all atomic liquids are simple. The main part of the paper motivates the new definition of liquid simplicity by presenting evidence that a liquid is strongly correlating if and only if its intermolecular interactions may be ignored beyond the first coordination shell (FCS). This is demonstrated by NVT simulations of the structure and dynamics of several atomic and three molecular model liquids with a shifted-forces cutoff placed at the first minimum of the radial distribution function. The liquids studied are inverse power-law systems (r-n pair potentials with n=18,6,4), Lennard-Jones (LJ) models (the standard LJ model, two generalized Kob-Andersen binary LJ mixtures, and the Wahnstrom binary LJ mixture), the Buckingham model, the Dzugutov model, the LJ Gaussian model, the Gaussian core model, the Hansen-McDonald molten salt model, the Lewis-Wahnstrom ortho-terphenyl model, the asymmetric dumbbell model, and the single-point charge water model. The final part of the paper summarizes properties of strongly correlating liquids, emphasizing that these are simpler than liquids in general. Simple liquids, as defined here, may be characterized in three quite different ways: (1) chemically by the fact that the liquid’s properties are fully determined by interactions from the molecules within the FCS, (2) physically by the fact that there are isomorphs in the phase diagram, i.e., curves along which several properties like excess entropy, structure, and dynamics, are invariant in reduced units, and (3) mathematically by the fact that throughout the phase diagram the reduced-coordinate constant-potential-energy hypersurfaces define a one-parameter family of compact Riemannian manifolds. No proof is given that the chemical characterization follows from the strong correlation property, but we show that this FCS characterization is consistent with the existence of isomorphs in strongly correlating liquids’ phase diagram. Finally, we note that the FCS characterization of simple liquids calls into question the physical basis of standard perturbation theory, according to which the repulsive and attractive forces play fundamentally different roles for the physics of liquids.

The Binary Temperature-Composition Phase Diagram

ERIC Educational Resources Information Center

Sanders, Philip C.; Reeves, James H.; Messina, Michael

2006-01-01

The equations for the liquid and gas lines in the binary temperature-composition phase diagram are derived by approximating that delta(H)[subscript vap] of the two liquids are equal. It is shown that within this approximation, the resulting equations are not too difficult to present in an undergraduate physical chemistry lecture.

Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

NASA Astrophysics Data System (ADS)

Ramírez-Santiago, Guillermo; Díaz-Herrera, Enrique; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to study wetting phenomena in the liquid-vapor phase coexistence of a partially miscible binary LJ mixture. We find that in the temperature range 0.60 ≤ T^* < 0.80, the system separates forming a liquid A-liquid B interface in coexistence with the vapor phase. At higher temperatures, 0.80 ≤ T^* < 1.25 the liquid phases are wet by the vapor phase. By studying the behavior of the surface tension as a function of temperature we estimate the wetting transition temperature (WTT) to be T^*_w≃ 0.80. The adsorption of molecules at the liquid-liquid interface shows a discontinuity at about T^*≃ 0.79 suggesting that the wetting transition is a first order phase transition. These results are in agreement with some experiments carried out in fluid binary mixtures. In addition, we estimated the consolute temperature to be T^* _cons≃ 1.25. The calculated phase diagram of the mixture suggest the existence of a tricritical point.

Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory

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

Dudowicz, Jacek, E-mail: dudowicz@jfi.uchicago.edu; Freed, Karl F.; Douglas, Jack F.

2015-10-07

Standard Flory-Huggins (FH) theory is utilized to describe the enigmatic cosolvency and cononsolvency phenomena for systems of polymers dissolved in mixed solvents. In particular, phase boundaries (specifically upper critical solution temperature spinodals) are calculated for solutions of homopolymers B in pure solvents and in binary mixtures of small molecule liquids A and C. The miscibility (or immiscibility) patterns for the ternary systems are classified in terms of the FH binary interaction parameters (χ{sub αβ}) and the ratio r = ϕ{sub A}/ϕ{sub C} of the concentrations ϕ{sub A} and ϕ{sub C} of the two solvents. The trends in miscibility are comparedmore » to those observed for blends of random copolymers (A{sub x}C{sub 1−x}) with homopolymers (B) and to those deduced for A/B/C solutions of polymers B in liquid mixtures of small molecules A and C that associate into polymeric clusters (A{sub p}C{sub q}){sub i}, (i = 1, 2, …, ∞). Although the classic FH theory is able to explain cosolvency and cononsolvency phenomena, the theory does not include a consideration of the mutual association of the solvent molecules and the competitive association between the solvent molecules and the polymer. These interactions can be incorporated in refinements of the FH theory, and the present paper provides a foundation for such extensions for modeling the rich thermodynamics of polymers in mixed solvents.« less

Reducing Dangerous Effects of Unsymmetrical Dimethyl Hydrazine as a Liquid Propellant by Addition of Hydroxyethylhydrazine, Part II, Performance with Several Oxidizers

NASA Astrophysics Data System (ADS)

Keshavarz, Mohammad Hossein; Ramadan, Alireza; Mousaviazar, Ali; Zali, Abbas; Shokrollahi, Arash

2011-07-01

This work continues the study of suitable binary liquid mixtures of unsymmetrical dimethylhydrazine (UDMH) and hydroxyethylhydrazine (HEH) to reduce the harmful effects of pure UDMH. The synthesized HEH was mixed with UDMH up to 40 wt% of HEH to study the performance and properties of binary liquid mixtures of UDMH/HEH. The existence of strong hydrogen bonding between HEH and UDMH provides low-volatile mixtures of these hydrazine derivatives. The addition of HEH significantly reduces the vapor pressure of UDMH, thus reducing the known UDMH health risk to inhalation exposure. Specific impulse was used to study performance of binary mixture UDMH/HEH with respect to pure UDMH. A binary mixture of UDMH/HEH reacts spontaneously in contact with nitrogen tetroxide, red fuming nitric acid (RFNA), and inhibited red fuming nitric acid (IRFNA).

Binary Plutinos

NASA Astrophysics Data System (ADS)

Noll, Keith S.

2015-08-01

The Pluto-Charon binary was the first trans-neptunian binary to be identified in 1978. Pluto-Charon is a true binary with both components orbiting a barycenter located between them. The Pluto system is also the first, and to date only, known binary with a satellite system consisting of four small satellites in near-resonant orbits around the common center of mass. Seven other Plutinos, objects in 3:2 mean motion resonance with Neptune, have orbital companions including 2004 KB19 reported here for the first time. Compared to the Cold Classical population, the Plutinos differ in the frequency of binaries, the relative sizes of the components, and their inclination distribution. These differences point to distinct dynamical histories and binary formation processes encountered by Plutinos.

ETHANOL, ACETIC ACID, AND WATER ADSORPTION FROM BINARY AND TERNARY LIQUID MIXTURES ON HIGH-SILICA ZEOLITES

EPA Science Inventory

Adsorption isotherms were measured for ethanol, acetic acid, and water adsorbed on high-silica ZSM-5 zeolite powder from binary and ternary liquid mixtures at room temperature. Ethanol and water adsorption on two high-silica ZSM-5 zeolites with different aluminum contents and a h...

A Simple Educational Method for the Measurement of Liquid Binary Diffusivities

ERIC Educational Resources Information Center

Rice, Nicholas P.; de Beer, Martin P.; Williamson, Mark E.

2014-01-01

A simple low-cost experiment has been developed for the measurement of the binary diffusion coefficients of liquid substances. The experiment is suitable for demonstrating molecular diffusion to small or large undergraduate classes in chemistry or chemical engineering. Students use a cell phone camera in conjunction with open-source image…

Quantum memory receiver for superadditive communication using binary coherent states

NASA Astrophysics Data System (ADS)

Klimek, Aleksandra; Jachura, Michał; Wasilewski, Wojciech; Banaszek, Konrad

2016-11-01

We propose a simple architecture based on multimode quantum memories for collective readout of classical information keyed using a pair coherent states, exemplified by the well-known binary phase shift keying format. Such a configuration enables demonstration of the superadditivity effect in classical communication over quantum channels, where the transmission rate becomes enhanced through joint detection applied to multiple channel uses. The proposed scheme relies on the recently introduced idea to prepare Hadamard sequences of input symbols that are mapped by a linear optical transformation onto the pulse position modulation format [Guha, S. Phys. Rev. Lett. 2011, 106, 240502]. We analyze two versions of readout based on direct detection and an optional Dolinar receiver which implements the minimum-error measurement for individual detection of a binary coherent state alphabet.

Quantum memory receiver for superadditive communication using binary coherent states.

PubMed

Klimek, Aleksandra; Jachura, Michał; Wasilewski, Wojciech; Banaszek, Konrad

2016-11-12

We propose a simple architecture based on multimode quantum memories for collective readout of classical information keyed using a pair coherent states, exemplified by the well-known binary phase shift keying format. Such a configuration enables demonstration of the superadditivity effect in classical communication over quantum channels, where the transmission rate becomes enhanced through joint detection applied to multiple channel uses. The proposed scheme relies on the recently introduced idea to prepare Hadamard sequences of input symbols that are mapped by a linear optical transformation onto the pulse position modulation format [Guha, S. Phys. Rev. Lett. 2011 , 106 , 240502]. We analyze two versions of readout based on direct detection and an optional Dolinar receiver which implements the minimum-error measurement for individual detection of a binary coherent state alphabet.

Fundamental finite key limits for one-way information reconciliation in quantum key distribution

NASA Astrophysics Data System (ADS)

Tomamichel, Marco; Martinez-Mateo, Jesus; Pacher, Christoph; Elkouss, David

2017-11-01

The security of quantum key distribution protocols is guaranteed by the laws of quantum mechanics. However, a precise analysis of the security properties requires tools from both classical cryptography and information theory. Here, we employ recent results in non-asymptotic classical information theory to show that one-way information reconciliation imposes fundamental limitations on the amount of secret key that can be extracted in the finite key regime. In particular, we find that an often used approximation for the information leakage during information reconciliation is not generally valid. We propose an improved approximation that takes into account finite key effects and numerically test it against codes for two probability distributions, that we call binary-binary and binary-Gaussian, that typically appear in quantum key distribution protocols.

CHARACTERIZATION OF SEVEN ULTRA-WIDE TRANS-NEPTUNIAN BINARIES

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

Parker, Alex H.; Kavelaars, J. J.; Petit, Jean-Marc

2011-12-10

The low-inclination component of the Classical Kuiper Belt is host to a population of extremely widely separated binaries. These systems are similar to other trans-Neptunian binaries (TNBs) in that the primary and secondary components of each system are of roughly equal size. We have performed an astrometric monitoring campaign of a sample of seven wide-separation, long-period TNBs and present the first-ever well-characterized mutual orbits for each system. The sample contains the most eccentric (2006 CH{sub 69}, e{sub m} = 0.9) and the most widely separated, weakly bound (2001 QW{sub 322}, a/R{sub H} {approx_equal} 0.22) binary minor planets known, and alsomore » contains the system with lowest-measured mass of any TNB (2000 CF{sub 105}, M{sub sys} {approx_equal} 1.85 Multiplication-Sign 10{sup 17} kg). Four systems orbit in a prograde sense, and three in a retrograde sense. They have a different mutual inclination distribution compared to all other TNBs, preferring low mutual-inclination orbits. These systems have geometric r-band albedos in the range of 0.09-0.3, consistent with radiometric albedo estimates for larger solitary low-inclination Classical Kuiper Belt objects, and we limit the plausible distribution of albedos in this region of the Kuiper Belt. We find that gravitational collapse binary formation models produce an orbital distribution similar to that currently observed, which along with a confluence of other factors supports formation of the cold Classical Kuiper Belt in situ through relatively rapid gravitational collapse rather than slow hierarchical accretion. We show that these binary systems are sensitive to disruption via collisions, and their existence suggests that the size distribution of TNOs at small sizes remains relatively shallow.« less

A multi-pattern hash-binary hybrid algorithm for URL matching in the HTTP protocol.

PubMed

Zeng, Ping; Tan, Qingping; Meng, Xiankai; Shao, Zeming; Xie, Qinzheng; Yan, Ying; Cao, Wei; Xu, Jianjun

2017-01-01

In this paper, based on our previous multi-pattern uniform resource locator (URL) binary-matching algorithm called HEM, we propose an improved multi-pattern matching algorithm called MH that is based on hash tables and binary tables. The MH algorithm can be applied to the fields of network security, data analysis, load balancing, cloud robotic communications, and so on-all of which require string matching from a fixed starting position. Our approach effectively solves the performance problems of the classical multi-pattern matching algorithms. This paper explores ways to improve string matching performance under the HTTP protocol by using a hash method combined with a binary method that transforms the symbol-space matching problem into a digital-space numerical-size comparison and hashing problem. The MH approach has a fast matching speed, requires little memory, performs better than both the classical algorithms and HEM for matching fields in an HTTP stream, and it has great promise for use in real-world applications.

A multi-pattern hash-binary hybrid algorithm for URL matching in the HTTP protocol

PubMed Central

Tan, Qingping; Meng, Xiankai; Shao, Zeming; Xie, Qinzheng; Yan, Ying; Cao, Wei; Xu, Jianjun

2017-01-01

In this paper, based on our previous multi-pattern uniform resource locator (URL) binary-matching algorithm called HEM, we propose an improved multi-pattern matching algorithm called MH that is based on hash tables and binary tables. The MH algorithm can be applied to the fields of network security, data analysis, load balancing, cloud robotic communications, and so on—all of which require string matching from a fixed starting position. Our approach effectively solves the performance problems of the classical multi-pattern matching algorithms. This paper explores ways to improve string matching performance under the HTTP protocol by using a hash method combined with a binary method that transforms the symbol-space matching problem into a digital-space numerical-size comparison and hashing problem. The MH approach has a fast matching speed, requires little memory, performs better than both the classical algorithms and HEM for matching fields in an HTTP stream, and it has great promise for use in real-world applications. PMID:28399157

Transport properties of gases and binary liquids near the critical point

NASA Technical Reports Server (NTRS)

Sengers, J. V.

1972-01-01

A status report is presented on the anomalies observed in the behavior of transport properties near the critical point of gases and binary liquids. The shear viscosity exhibits a weak singularity near the critical point. An analysis is made of the experimental data for those transport properties, thermal conductivity and thermal diffusivity near the gas-liquid critical point and binary diffusion coefficient near the critical mixing point, that determine the critical slowing down of the thermodynamic fluctuations in the order parameter. The asymptotic behavior of the thermal conductivity appears to be closely related to the asymptotic behavior of the correlation length. The experimental data for the thermal conductivity and diffusivity are shown to be in substantial agreement with current theoretical predictions.

Electrical Transport Properties of Liquid Sn-Sb Binary Alloys

NASA Astrophysics Data System (ADS)

Thakore, B. Y.; Suthar, P. H.; Khambholja, S. G.; Jani, A. R.

2010-06-01

The study of electrical transport properties viz. electrical resistivity, thermo electrical power and thermal conductivity of liquid Sn-Sb binary alloys have been made by our well recognized single parametric model potential. In the present work, screening functions due to Hartree, Taylor, Ichimaru et al.. Farid et al.. and Sarkar et al.. have been employed to incorporate the exchange and correlation effects. The liquid alloy is studied as a function of its composition at temperature 823 K according to the Faber-Ziman model. Further, thermoelectric power and thermal conductivity have been predicted. The values of electrical resistivity of binary alloys computed with Ichimaru et al. and Farid et al.. screening function are in good agreement with the experimental data.

Thermodynamics of Liquid Alkali Metals and Their Binary Alloys

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Patel, Minal H.; Gajjar, P. N.; Jani, A. R.

2009-07-01

The theoretical investigation of thermodynamic properties like internal energy, entropy, Helmholtz free energy, heat of mixing (ΔE) and entropy of mixing (ΔS) of liquid alkali metals and their binary alloys are reported in the present paper. The effect of concentration on the thermodynamic properties of Ac1Bc2 alloy of the alkali-alkali elements is investigated and reported for the first time using our well established local pseudopotential. To investigate influence of exchange and correlation effects, we have used five different local field correction functions viz; Hartree(H), Taylor(T), Ichimaru and Utsumi(IU), Farid et al. (F) and Sarkar et al. (S). The increase of concentration C2, increases the internal energy and Helmholtz free energy of liquid alloy Ac1Bc2. The behavior of present computation is not showing any abnormality in the outcome and hence confirms the applicability of our model potential in explaining the thermodynamics of liquid binary alloys.

Solute transport with multisegment, equilibrium-controlled, classical reactions: Problem solvability and feed forward method's applicability for complex segments of at most binary participants

USGS Publications Warehouse

Rubin, Jacob

1992-01-01

The feed forward (FF) method derives efficient operational equations for simulating transport of reacting solutes. It has been shown to be applicable in the presence of networks with any number of homogeneous and/or heterogeneous, classical reaction segments that consist of three, at most binary participants. Using a sequential (network type after network type) exploration approach and, independently, theoretical explanations, it is demonstrated for networks with classical reaction segments containing more than three, at most binary participants that if any one of such networks leads to a solvable transport problem then the FF method is applicable. Ways of helping to avoid networks that produce problem insolvability are developed and demonstrated. A previously suggested algebraic, matrix rank procedure has been adapted and augmented to serve as the main, easy-to-apply solvability test for already postulated networks. Four network conditions that often generate insolvability have been identified and studied. Their early detection during network formulation may help to avoid postulation of insolvable networks.

NEUROBEHAVIORAL EVALUATIONS OF BINARY AND TERTIARY MIXTURES OF CHEMICALS: LESSIONS LEARNING.

EPA Science Inventory

The classical approach to the statistical analysis of binary chemical mixtures is to construct full dose-response curves for one compound in the presence of a range of doses of the second compound (isobolographic analyses). For interaction studies using more than two chemicals, ...

Three waves for quantum gravity

NASA Astrophysics Data System (ADS)

Calmet, Xavier; Latosh, Boris

2018-03-01

Using effective field theoretical methods, we show that besides the already observed gravitational waves, quantum gravity predicts two further massive classical fields leading to two new massive waves. We set a limit on the masses of these new modes using data from the Eöt-Wash experiment. We point out that the existence of these new states is a model independent prediction of quantum gravity. We then explain how these new classical fields could impact astrophysical processes and in particular the binary inspirals of neutron stars or black holes. We calculate the emission rate of these new states in binary inspirals astrophysical processes.

Crystal Nucleation and Growth in Undercooled Melts of Pure Zr, Binary Zr-Based and Ternary Zr-Ni-Cu Glass-Forming Alloys

NASA Astrophysics Data System (ADS)

Herlach, Dieter M.; Kobold, Raphael; Klein, Stefan

2018-03-01

Glass formation of a liquid undercooled below its melting temperature requires the complete avoidance of crystal nucleation and subsequent crystal growth. Even though they are not part of the glass formation process, a detailed knowledge of both processes involved in crystallization is mandatory to determine the glass-forming ability of metals and metallic alloys. In the present work, methods of containerless processing of drops by electrostatic and electromagnetic levitation are applied to undercool metallic melts prior to solidification. Heterogeneous nucleation on crucible walls is completely avoided giving access to large undercoolings. A freely suspended drop offers the additional benefit of showing the rapid crystallization process of an undercooled melt in situ by proper diagnostic means. As a reference, crystal nucleation and dendrite growth in the undercooled melt of pure Zr are experimentally investigated. Equivalently, binary Zr-Cu, Zr-Ni and Zr-Pd and ternary Zr-Ni-Cu alloys are studied, whose glass-forming abilities differ. The experimental results are analyzed within classical nucleation theory and models of dendrite growth. The findings give detailed knowledge about the nucleation-undercooling statistics and the growth kinetics over a large range of undercooling.

Free energy change of off-eutectic binary alloys on solidification

NASA Technical Reports Server (NTRS)

Ohsaka, K.; Trinh, E. H.; Lin, J.-C.; Perepezko, J. H.

1991-01-01

A formula for the free energy difference between the undercooled liquid phase and the stable solid phase is derived for off-eutectic binary alloys in which the equilibrium solid/liquid transition takes place over a certain temperature range. The free energy change is then evaluated numerically for a Bi-25 at. pct Cd alloy modeled as a sub-subregular solution.

On the Relationship between Classical Test Theory and Item Response Theory: From One to the Other and Back

ERIC Educational Resources Information Center

Raykov, Tenko; Marcoulides, George A.

2016-01-01

The frequently neglected and often misunderstood relationship between classical test theory and item response theory is discussed for the unidimensional case with binary measures and no guessing. It is pointed out that popular item response models can be directly obtained from classical test theory-based models by accounting for the discrete…

Droplet formation at the non-equilibrium water/water (w/w) interface

NASA Astrophysics Data System (ADS)

Chao, Youchuang; Mak, Sze Yi; Kong, Tiantian; Ding, Zijing; Shum, Ho Cheung

2017-11-01

The interfacial instability at liquid-liquid interfaces has been intensively studied in recent years due to their important role in nature and technology. Among them, two classic instabilities are Rayleigh-Taylor (RT) and double diffusive (DD) instabilities, which are practically relevant to many industrial processes, such as geologic CO2 sequestration. Most experimental and theoretical works have focused on RT or DD instability in binary systems. However, the study of such instability in complex systems, such as non-equilibrium ternary systems that involves mass-transfer-induced phase separation, has received less attention. Here, by using a ternary system known as the aqueous two-phase system (ATPS), we investigate experimentally the behavior of non-equilibrium water/water (w/w) interfaces in a vertically orientated Hele-Shaw cell. We observe that an array of fingers emerge at the w/w interface, and then break into droplets. We explore the instability using different concentrations of two aqueous phases. Our experimental findings are expected to inspire the mass production of all-aqueous emulsions in a simple setup.

Radial Velocities of 41 Kepler Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Matson, Rachel A.; Gies, Douglas R.; Guo, Zhao; Williams, Stephen J.

2017-12-01

Eclipsing binaries are vital for directly determining stellar parameters without reliance on models or scaling relations. Spectroscopically derived parameters of detached and semi-detached binaries allow us to determine component masses that can inform theories of stellar and binary evolution. Here we present moderate resolution ground-based spectra of stars in close binary systems with and without (detected) tertiary companions observed by NASA’s Kepler mission and analyzed for eclipse timing variations. We obtain radial velocities and spectroscopic orbits for five single-lined and 35 double-lined systems, and confirm one false positive eclipsing binary. For the double-lined spectroscopic binaries, we also determine individual component masses and examine the mass ratio {M}2/{M}1 distribution, which is dominated by binaries with like-mass pairs and semi-detached classical Algol systems that have undergone mass transfer. Finally, we constrain the mass of the tertiary component for five double-lined binaries with previously detected companions.

Learning moment-based fast local binary descriptor

NASA Astrophysics Data System (ADS)

Bellarbi, Abdelkader; Zenati, Nadia; Otmane, Samir; Belghit, Hayet

2017-03-01

Recently, binary descriptors have attracted significant attention due to their speed and low memory consumption; however, using intensity differences to calculate the binary descriptive vector is not efficient enough. We propose an approach to binary description called POLAR_MOBIL, in which we perform binary tests between geometrical and statistical information using moments in the patch instead of the classical intensity binary test. In addition, we introduce a learning technique used to select an optimized set of binary tests with low correlation and high variance. This approach offers high distinctiveness against affine transformations and appearance changes. An extensive evaluation on well-known benchmark datasets reveals the robustness and the effectiveness of the proposed descriptor, as well as its good performance in terms of low computation complexity when compared with state-of-the-art real-time local descriptors.

How Is the Freezing Point of a Binary Mixture of Liquids Related to the Composition? A Guided Inquiry Experiment

ERIC Educational Resources Information Center

Hunnicutt, Sally S.; Grushow, Alexander; Whitnell, Rob

2017-01-01

The principles of process-oriented guided inquiry learning (POGIL) are applied to a binary solid-liquid mixtures experiment. Over the course of two learning cycles, students predict, measure, and model the phase diagram of a mixture of fatty acids. The enthalpy of fusion of each fatty acid is determined from the results. This guided inquiry…

On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

NASA Technical Reports Server (NTRS)

Miller, R. S.; Bellan, J.

1997-01-01

An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

Formation of the first three gravitational-wave observations through isolated binary evolution

PubMed Central

Stevenson, Simon; Vigna-Gómez, Alejandro; Mandel, Ilya; Barrett, Jim W.; Neijssel, Coenraad J.; Perkins, David; de Mink, Selma E.

2017-01-01

During its first four months of taking data, Advanced LIGO has detected gravitational waves from two binary black hole mergers, GW150914 and GW151226, along with the statistically less significant binary black hole merger candidate LVT151012. Here we use the rapid binary population synthesis code COMPAS to show that all three events can be explained by a single evolutionary channel—classical isolated binary evolution via mass transfer including a common envelope phase. We show all three events could have formed in low-metallicity environments (Z=0.001) from progenitor binaries with typical total masses ≳160M⊙, ≳60M⊙ and ≳90M⊙, for GW150914, GW151226 and LVT151012, respectively. PMID:28378739

Flash-point prediction for binary partially miscible mixtures of flammable solvents.

PubMed

Liaw, Horng-Jang; Lu, Wen-Hung; Gerbaud, Vincent; Chen, Chan-Cheng

2008-05-30

Flash point is the most important variable used to characterize fire and explosion hazard of liquids. Herein, partially miscible mixtures are presented within the context of liquid-liquid extraction processes. This paper describes development of a model for predicting the flash point of binary partially miscible mixtures of flammable solvents. To confirm the predictive efficacy of the derived flash points, the model was verified by comparing the predicted values with the experimental data for the studied mixtures: methanol+octane; methanol+decane; acetone+decane; methanol+2,2,4-trimethylpentane; and, ethanol+tetradecane. Our results reveal that immiscibility in the two liquid phases should not be ignored in the prediction of flash point. Overall, the predictive results of this proposed model describe the experimental data well. Based on this evidence, therefore, it appears reasonable to suggest potential application for our model in assessment of fire and explosion hazards, and development of inherently safer designs for chemical processes containing binary partially miscible mixtures of flammable solvents.

Refractive index, molar refraction and comparative refractive index study of propylene carbonate binary liquid mixtures.

PubMed

Wankhede, Dnyaneshwar Shamrao

2012-06-01

Refractive indices (n) have been experimentally determined for the binary liquid-liquid mixtures of Propylene carbonate (PC) (1) with benzene, ethylbenzene, o-xylene and p-xylene (2) at 298.15, 303.15 and 308.15 K over the entire mole fraction range. The experimental values of n are utilised to calculate deviation in refractive index (Δn), molar refraction (R) and deviation in molar refraction (ΔR). A comparative study of Arago-Biot (A-B), Newton (NW), Eyring and John (E-J) equations for determining refractive index of a liquid has been carried out to test their validity for all the binary mixtures over the entire composition range at 298.15 K. Comparison of various mixing relations is represented in terms of average deviation (AVD). The Δn and ΔR values have been fitted to Redlich-Kister equation at 298.15 K and standard deviations have been calculated. The results are discussed in terms of intermolecular interactions present amongst the components.

Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices

NASA Astrophysics Data System (ADS)

Udayabhaskararao, Thumu; Altantzis, Thomas; Houben, Lothar; Coronado-Puchau, Marc; Langer, Judith; Popovitz-Biro, Ronit; Liz-Marzán, Luis M.; Vuković, Lela; Král, Petr; Bals, Sara; Klajn, Rafal

2017-10-01

Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here, we show that non-close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures.

Trojan Binaries

NASA Astrophysics Data System (ADS)

Noll, K. S.

2017-12-01

The Jupiter Trojans, in the context of giant planet migration models, can be thought of as an extension of the small body populations found beyond Neptune in the Kuiper Belt. Binaries are a distinctive feature of small body populations in the Kuiper Belt with an especially high fraction apparent among the brightest Cold Classicals. The binary fraction, relative sizes, and separations in the dynamically excited populations (Scattered, Resonant) reflects processes that may have eroded a more abundant initial population. This trend continues in the Centaurs and Trojans where few binaries have been found. We review new evidence including a third resolved Trojan binary and lightcurve studies to understand how the Trojans are related to the small body populations that originated in the outer protoplanetary disk.

Mean-field kinetic theory approach to evaporation of a binary liquid into vacuum

NASA Astrophysics Data System (ADS)

Frezzotti, A.; Gibelli, L.; Lockerby, D. A.; Sprittles, J. E.

2018-05-01

Evaporation of a binary liquid into near-vacuum conditions has been studied using numerical solutions of a system of two coupled Enskog-Vlasov equations. Liquid-vapor coexistence curves have been mapped out for different liquid compositions. The evaporation process has been investigated at a range of liquid temperatures sufficiently lower than the critical one for the vapor not to significantly deviate from the ideal behavior. It is found that the shape of the distribution functions of evaporating atoms is well approximated by an anisotropic Maxwellian distribution with different characteristic temperatures for velocity components normal and parallel to the liquid-vapor interface. The anisotropy reduces as the evaporation temperature decreases. Evaporation coefficients are computed based on the separation temperature and the maximum concentration of the less volatile component close to the liquid-vapor interface. This choice leads to values which are almost constant in the simulation conditions.

Binary Colloidal Alloy Test-3 and 4: Critical Point

NASA Technical Reports Server (NTRS)

Weitz, David A.; Lu, Peter J.

2007-01-01

Binary Colloidal Alloy Test - 3 and 4: Critical Point (BCAT-3-4-CP) will determine phase separation rates and add needed points to the phase diagram of a model critical fluid system. Crewmembers photograph samples of polymer and colloidal particles (tiny nanoscale spheres suspended in liquid) that model liquid/gas phase changes. Results will help scientists develop fundamental physics concepts previously cloaked by the effects of gravity.

Synergic effects in the extraction of paracetamol from aqueous NaCl solution by the binary mixtures of diethyl ether and low molecular weight primary alcohols

NASA Astrophysics Data System (ADS)

Nikolić, G. M.; Živković, J. V.; Atanasković, D. S.; Nikolić, M. G.

2013-12-01

Liquid-liquid extraction of paracetamol from aqueous NaCl solutions was performed with diethyl ether, 1-propanol, 1-butanol, isobutanol, 1-pentanol, and binary mixtures diethyl ether/1-propanol, diethyl ether/1-butanol, and diethyl ether/isobutanol. Among the pure solvents investigated in this study best extraction efficacy was obtained with 1-butanol. Synergic effects in the extraction with binary mixtures was investigated and compared with some other systems used for the extraction of poorly extractable compounds. Results obtained in this study may be of both fundamental and practical importance.

Phase behaviors of binary mixtures composed of electron-rich and electron-poor triphenylene discotic liquid crystals

NASA Astrophysics Data System (ADS)

An, Lingling; Jing, Min; Xiao, Bo; Bai, Xiao-Yan; Zeng, Qing-Dao; Zhao, Ke-Qing

2016-09-01

Disk-like liquid crystals (DLCs) can self-assemble to ordered columnar mesophases and are intriguing one-dimensional organic semiconductors with high charge carrier mobility. To improve their applicable property of mesomorphic temperature ranges, we exploit the binary mixtures of electronic donor-acceptor DLC materials. The electron-rich 2,3,6,7,10,11-hexakis(alkoxy)triphenylenes (C4, C6, C8, C10, C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated. The mesomorphism of the 1:1 (molar ratio) mixtures has been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and small angel x-ray scattering (SAXS). The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy (STM). The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures. Project supported by the National Natural Science Foundation of China (Grant Nos. 51273133 and 51443004).

Turbidity of a Binary Fluid Mixture: Determining Eta

NASA Technical Reports Server (NTRS)

Jacobs, Donald T.

1996-01-01

A ground based (1-g) experiment is in progress that will measure the turbidity of a density-matched, binary fluid mixture extremely close to its liquid-liquid critical point. By covering the range of reduced temperatures t equivalent to (T-T(sub c)) / T(sub c) from 10(exp -8) to 10(exp -2), the turbidity measurements will allow the critical exponent eta to be determined. No experiment has precisely determined a value of the critical exponent eta, yet its value is significant to theorists in critical phenomena. Relatively simple critical phenomena, as in the liquid-liquid system studied here, serve as model systems for more complex systems near a critical point.

Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Díaz-Herrera, Enrique; Ramírez-Santiago, Guillermo; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to investigate the Liquid-Vapor coexistence in partially miscible binary and ternary mixtures LJ fluids. We have studied in detail the time evolution of the density profiles and the interfacial properties in a temperature region of the phase diagram where the condensed phase is demixed. The composition of the mixtures are fixed, 50% for the binary mixture and 33.33% for the ternary mixture. The results of the simulations clearly indicate that in the range of temperatures 78 < T < 102 ^oK,--in the scale of argon-- the system evolves towards a metastable alternated liquid-liquid lamellar state in coexistence with its vapor phase. These states can be achieved if the initial configuration is fully disordered, that is, when the particles of the fluids are randomly placed on the sites of an FCC crystal or the system is completely mixed. As temperature decreases these states become very well defined and more stable in time. We find that below 90 ^oK, the alternated liquid-liquid lamellar state remains alive for 80 ns, in the scale of argon, the longest simulation we have carried out. Nonetheless, we believe that in this temperature region these states will be alive for even much longer times.

Effect of stirring on the safety of flammable liquid mixtures.

PubMed

Liaw, Horng-Jang; Gerbaud, Vincent; Chen, Chan-Cheng; Shu, Chi-Min

2010-05-15

Flash point is the most important variable employed to characterize fire and explosion hazard of liquids. The models developed for predicting the flash point of partially miscible mixtures in the literature to date are all based on the assumption of liquid-liquid equilibrium. In real-world environments, however, the liquid-liquid equilibrium assumption does not always hold, such as the collection or accumulation of waste solvents without stirring, where complete stirring for a period of time is usually used to ensure the liquid phases being in equilibrium. This study investigated the effect of stirring on the flash-point behavior of binary partially miscible mixtures. Two series of partially miscible binary mixtures were employed to elucidate the effect of stirring. The first series was aqueous-organic mixtures, including water+1-butanol, water+2-butanol, water+isobutanol, water+1-pentanol, and water+octane; the second series was the mixtures of two flammable solvents, which included methanol+decane, methanol+2,2,4-trimethylpentane, and methanol+octane. Results reveal that for binary aqueous-organic solutions the flash-point values of unstirred mixtures were located between those of the completely stirred mixtures and those of the flammable component. Therefore, risk assessment could be done based on the flammable component flash-point value. However, for the assurance of safety, it is suggested to completely stir those mixtures before handling to reduce the risk. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Study of thermodynamic and transport properties of binary liquid mixture of diesel with biodiesel at 298.15K

NASA Astrophysics Data System (ADS)

Suthar, Shyam Sunder; Purohit, Suresh

2018-05-01

Properties of diesel and biodiesel (produced from corn oil) are used. Densities and viscosities of binary mixture of diesel with biodiesel (produced from corn oil) have been computed by using liquid binary mixture law over the entire range of compositions at T=298.15K and atmospheric pressure. From the computed values of density and viscosities, viscosity deviation (Δη), the excess molar volume (VE) and excess Gibbs energy of activation of viscous flow (ΔG#E) have been calculated. The results of excess volume, excess Gibbs energy of activation of viscous flow and viscosity deviation have been fitted to Redlich -Kister models to estimate the binary coefficients. The results are communicated in terms of the molecular interactions and the best suited composition has been found.

A search for the prewetting line. [in binary liquid system at vapor-liquid interface

NASA Technical Reports Server (NTRS)

Schmidt, J. W.; Moldover, M. R.

1986-01-01

This paper describes efforts to locate the prewetting line in a binary liquid system (isopropanol-perfluoromethylcyclohexane) at the vapor-liquid interface. Tight upper bounds were placed on the temperature separation (0.2 K) between the prewetting line and the line of bulk liquid phase separation. The prewetting line in systems at equilibrium was not detected. Experimental signatures indicative of the prewetting line occurred only in nonequilibrium situations. Several theories predict that the adsorption of one of the components (the fluorocarbon, in this case) at the liquid-vapor interface should increase abruptly, at a temperature sightly above the temperature at which the mixture separates into two liquid phases. A regular solution calculation indicates that this prewetting line should have been easily detectable with the instruments used in this experiment. Significant features of the experiment are: (1) low-gradient thermostatting, (2) in situ stirring, (3) precision ellipsometry from the vapor-liquid interface, (4) high resolution differential index of refraction measurements using a novel cell design, and (5) computer control.

Raman Spectroscopy and Microphysics of Single PSC Precursor Particles Suspended in a Quadrupole Trap

NASA Astrophysics Data System (ADS)

Sonnenfroh, D. M.; Hunter, A. J.; Rawlins, W. T.

2001-12-01

Polar stratospheric clouds (PSCs) consist primarily of solid nitric acid trihydrate (NAT) particles, which are thought to nucleate via HNO3 uptake on background sulfuric acid particles at temperatures below 195 K. The mechanism for this process is uncertain, and depends on whether the sulfuric acid particles are solid or liquid at these temperatures. Previous results from laboratory and field measurements are mixed; our previous single-particle laboratory experiments showed that binary H2SO4/H2O particles at stratospheric compositions are essentially metastable in the liquid phase when cooled to PSC temperatures. Currently, we are investigating the detailed microphysics of binary (H2SO4/H2O) and ternary (HNO3/H2SO4/H2O) single particles suspended in an electrodynamic levitator, using optical elastic scattering and Raman spectroscopy to observe changes in phase and composition. Single-particle Raman spectra for supercooled binary particles exhibit spectral distributions which alter markedly with decreasing temperature down to 190 K. The variations signify increasing dissociation of HSO4(-) to SO4(-2) with decreasing temperature, consistent with measurements for bulk solutions. Upon gradual warming of supercooled liquid binary particles, some of them freeze briefly in a narrow "window" of the phase diagram, near 210 K and 60 weight per cent H2SO4. We will discuss the Raman spectroscopy and microphysical behavior of the liquid and frozen particles for both the binary and ternary systems. This research was supported by the NASA Atmospheric Effects of Aviation Program.

A physicochemical investigation of ionic liquid mixtures† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc02931c Click here for additional data file.

PubMed Central

Clough, Matthew T.; Crick, Colin R.; Gräsvik, John; Niedermeyer, Heiko; Whitaker, Oliver P.

2015-01-01

Ionic liquids have earned the reputation of being ‘designer solvents’ due to the wide range of accessible properties and the degree of fine-tuning afforded by varying the constituent ions. Mixtures of ionic liquids offer the opportunity for further fine-tuning of properties. A broad selection of common ionic liquid cations and anions are employed to create a sample of binary and reciprocal binary ionic liquid mixtures, which are analysed and described in this paper. Physical properties such as the conductivity, viscosity, density and phase behaviour (glass transition temperatures) are examined. In addition, thermal stabilities of the mixtures are evaluated. The physical properties examined for these formulations are found to generally adhere remarkably closely to ideal mixing laws, with a few consistent exceptions, allowing for the facile prediction and control of properties of ionic liquid mixtures. PMID:29560198

Phase equilibrium measurements on nine binary mixtures

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

Wilding, W.V.; Giles, N.F.; Wilson, L.C.

1996-11-01

Phase equilibrium measurements have been performed on nine binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following systems at two temperatures each: (aminoethyl)piperazine + diethylenetriamine; 2-butoxyethyl acetate + 2-butoxyethanol; 2-methyl-2-propanol + 2-methylbutane; 2-methyl-2-propanol + 2-methyl-2-butene; methacrylonitrile + methanol; 1-chloro-1,1-difluoroethane + hydrogen chloride; 2-(hexyloxy)ethanol + ethylene glycol; butane + ammonia; propionaldehyde + butane. Equilibrium vapor and liquid phase compositions were derived form the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or the NRTL activity coefficient model to represent the liquid phase. A large immiscibility region existsmore » in the butane + ammonia system at 0 C. Therefore, separate vapor-liquid-liquid equilibrium measurements were performed on this system to more precisely determine the miscibility limits and the composition of the vapor phase in equilibrium with the two liquid phases.« less

Density and refractive index data of binary and ternary mixtures of imidazolium-based ionic liquids, n-hexane and organic compounds involved in the kinetic resolution of rac-2-pentanol.

PubMed

Montalbán, Mercedes G; Collado-González, Mar; Lozano-Pérez, A Abel; Baños, F Guillermo Díaz; Víllora, Gloria

2018-08-01

This data article is related to the subject of the research article "Extraction of Organic Compounds Involved in the Kinetic Resolution of rac-2-Pentanol from n-Hexane by Imidazolium-based Ionic Liquids: Liquid-Liquid Equilibrium" (Montalbán et al., 2018) [1]. It contains experimental data of density and refractive index of binary and ternary mixtures of imidazolium-based ionic liquids, n -hexane and organic compounds involved in the kinetic resolution of rac -2-pentanol ( rac -2-pentanol, vinyl butyrate, rac -2-pentyl butyrate or butyric acid) measured at 303.15 K and 1 atm. These data are presented as calibration curves which help to determine the composition of the ionic liquid-rich phase knowing its density or refractive index.

Observation of Stronger-than-Binary Correlations with Entangled Photonic Qutrits

NASA Astrophysics Data System (ADS)

Hu, Xiao-Min; Liu, Bi-Heng; Guo, Yu; Xiang, Guo-Yong; Huang, Yun-Feng; Li, Chuan-Feng; Guo, Guang-Can; Kleinmann, Matthias; Vértesi, Tamás; Cabello, Adán

2018-05-01

We present the first experimental confirmation of the quantum-mechanical prediction of stronger-than-binary correlations. These are correlations that cannot be explained under the assumption that the occurrence of a particular outcome of an n ≥3 -outcome measurement is due to a two-step process in which, in the first step, some classical mechanism precludes n -2 of the outcomes and, in the second step, a binary measurement generates the outcome. Our experiment uses pairs of photonic qutrits distributed between two laboratories, where randomly chosen three-outcome measurements are performed. We report a violation by 9.3 standard deviations of the optimal inequality for nonsignaling binary correlations.

Ionic Liquids Database- (ILThermo)

National Institute of Standards and Technology Data Gateway

SRD 147 NIST Ionic Liquids Database- (ILThermo) (Web, free access)   IUPAC Ionic Liquids Database, ILThermo, is a free web research tool that allows users worldwide to access an up-to-date data collection from the publications on experimental investigations of thermodynamic, and transport properties of ionic liquids as well as binary and ternary mixtures containing ionic liquids.

Excess Volumes and Excess Isentropic Compressibilities of Binary Liquid Mixtures of Trichloroethylene with Esters at 303.15 K

NASA Astrophysics Data System (ADS)

Ramanaiah, S.; Rao, C. Narasimha; Nagaraja, P.; Venkateswarlu, P.

2015-11-01

Exces volumes, VE, and excess isentropic compressibilities, κSE, have been reported as a function of composition for binary liquid mixtures of trichloroethylene with ethyl acetate, n-propyl acetate, and n-butyl acetate at 303.15 K. Isentropic compressibilities are calculated using measured sound speeds and density data for pure components and for binary mixtures. Excess volumes and excess isentropic compressibilities are found to be negative for the three systems studied over the entire composition range at 303.15 K, whereas these values become more negative with an increase of carbon chain length. The results are discussed in terms of intermolecular interactions between unlike molecules.

Nonergodicity in binary alloys

NASA Astrophysics Data System (ADS)

Son, Leonid; Sidorov, Valery; Popel, Pjotr; Shulgin, Dmitry

2015-09-01

For binary liquids with limited miscibility of the components, we provide the corrections to the equation of state which arise from the nonergogic diffusivity. It is shown that these corrections result in lowering of critical miscibility point. In some cases, it may result in a bifurcation of miscibility curve: the mixtures near 50% concentration which are homogeneous at the microscopic level, occur to be too stable to provide a quasi - eutectic triple point. These features provide a new look on the phase diagrams of some binary systems. In present work, we discuss Ga-Pb, Fe-Cu, and Cu-Zr alloys. Our investigation corresponds their complex behavior in liquid state to the shapes of their phase diagrams.

Nonequilibrium Concentration Fluctuations in Binary Liquid Systems Induced by the Soret Effect

NASA Astrophysics Data System (ADS)

Sengers, Jan V.; Ortiz de Zárate, José M.

When a binary liquid system is brought into a stationary thermal nonequilibrium state by the imposition of a temperature gradient, the Soret effect induces long-range concentration fluctuations even in the absence of any convective instability. The physical origin of the nonequilibrium concentration fluctuations is elucidated and it is shown how the intensity of these concentration fluctuations can be derived from the linearized random Boussinesq equations. Relevant experimental inform ation is also discussed.

Simple views on critical binary liquid mixtures in porous glass

NASA Astrophysics Data System (ADS)

Tremblay, L.; Socol, S. M.; Lacelle, S.

2000-01-01

A simple scenario, different from previous attempts, is proposed to resolve the problem of the slow phase separation dynamics of binary liquid mixtures confined in porous Vycor glass. We demonstrate that simply mutual diffusion, renormalized by critical composition fluctuations and geometrical hindrance of the porous glass, accounts for the slow phase separation kinetics. Capillary invasion studies of porous Vycor glass by the critical isobutyric acid-water mixture, close to the consolute solution temperature, corroborate our analysis.

Nucleation study for an undercooled melt of intermetallic NiZr

NASA Astrophysics Data System (ADS)

Kobold, R.; Kolbe, M.; Hornfeck, W.; Herlach, D. M.

2018-03-01

Electrostatic levitation is applied in order to undercool liquid glass forming NiZr significantly below its melting temperature. For NiZr large undercoolings are found to be highly reproducible with this experimental method. One single NiZr sample of high purity is undercooled 200 consecutive times which leads to a distribution function of undercooling temperatures. Within a statistical approach of classical nucleation theory, the undercooling distribution is analyzed yielding parameters, e.g., a pre-exponential factor of KV ≈ 1035 m-3 s-1, which indicates homogeneous nucleation. This result is consistent with the crystallization behavior of NiZr at high undercooling and with the corresponding microstructural analysis. Since NiZr is a representative of the very common CrB structure type, with 132 isostructural phases existing, understanding its nucleation behavior adds important knowledge to the nucleation of binary alloys in general.

Surface tension modelling of liquid Cd-Sn-Zn alloys

NASA Astrophysics Data System (ADS)

Fima, Przemyslaw; Novakovic, Rada

2018-06-01

The thermodynamic model in conjunction with Butler equation and the geometric models were used for the surface tension calculation of Cd-Sn-Zn liquid alloys. Good agreement was found between the experimental data for limiting binaries and model calculations performed with Butler model. In the case of ternary alloys, the surface tension variation with Cd content is better reproduced in the case of alloys lying on vertical sections defined by high Sn to Zn molar fraction ratio. The calculated surface tension is in relatively good agreement with the available experimental data. In addition, the surface segregation of liquid ternary Cd-Sn-Zn and constituent binaries has also been calculated.

Viscosity and diffusivity in melts: from unary to multicomponent systems

NASA Astrophysics Data System (ADS)

Chen, Weimin; Zhang, Lijun; Du, Yong; Huang, Baiyun

2014-05-01

Viscosity and diffusivity, two important transport coefficients, are systematically investigated from unary melt to binary to multicomponent melts in the present work. By coupling with Kaptay's viscosity equation of pure liquid metals and effective radii of diffusion species, the Sutherland equation is modified by taking the size effect into account, and further derived into an Arrhenius formula for the convenient usage. Its reliability for predicting self-diffusivity and impurity diffusivity in unary liquids is then validated by comparing the calculated self-diffusivities and impurity diffusivities in liquid Al- and Fe-based alloys with the experimental and the assessed data. Moreover, the Kozlov model was chosen among various viscosity models as the most reliable one to reproduce the experimental viscosities in binary and multicomponent melts. Based on the reliable viscosities calculated from the Kozlov model, the modified Sutherland equation is utilized to predict the tracer diffusivities in binary and multicomponent melts, and validated in Al-Cu, Al-Ni and Al-Ce-Ni melts. Comprehensive comparisons between the calculated results and the literature data indicate that the experimental tracer diffusivities and the theoretical ones can be well reproduced by the present calculations. In addition, the vacancy-wind factor in binary liquid Al-Ni alloys with the increasing temperature is also discussed. What's more, the calculated inter-diffusivities in liquid Al-Cu, Al-Ni and Al-Ag-Cu alloys are also in excellent agreement with the measured and theoretical data. Comparisons between the simulated concentration profiles and the measured ones in Al-Cu, Al-Ce-Ni and Al-Ag-Cu melts are further used to validate the present calculation method.

Properties of liquid Ti alloys from electrostatic levitation experiments and simulation

NASA Astrophysics Data System (ADS)

Novak, Brian; Raush, Jonathan; Zhang, Xiaoman; Moldovan, Dorel; Meng, Wenjin; Guo, Shengmin

Accurate thermophysical property data for liquid metals and alloys are important for the development of realistic simulations of laser-based 3D printing processes. We are using the container-less electrostatic levitation (ESL) method, molecular simulation, and CALPHAD calculations to obtain such data for Ti alloys. We performed vacuum ESL measurements of viscosity and surface tension with an oscillating drop technique at NASA MSFC on molten elemental Ti, Ti-xAl binaries (x = 0-10 wt%), Ti-6Al-4V, and Ti-6Al-4V-10Mo which showed improved mechanical properties compared with traditional β Ti alloys. We also used classical molecular simulations to obtain viscosities and surface tensions for Ti-xAl. Pair distribution functions, diffusivities, and vapor pressures were also obtained from simulations. The simulated viscosities and surface tensions for pure Ti agree well with the ESL data while the Ti-xAl viscosities have the same trends as the ESL data, but not quantitative agreement. Chemical activity and Gibbs free energy of Ti-10Al were generated using the CALPHAD technique and compared to experimental values. Supported by the National Science Foundation through cooperative agreement OIA-1541079 and the Louisiana Board of Regents.

An exact solution for the solidification of a liquid slab of binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.; Collins, F. G.; Aumalia, A. E.

1986-01-01

The time dependent temperature and concentration profiles of a one dimensional finite slab of a binary liquid alloy is investigated during solidification. The governing equations are reduced to a set of coupled, nonlinear initial value problems using the method outlined by Meyer. Two methods will be used to solve these equations. The first method uses a Runge-Kutta-Fehlberg integrator to solve the equations numerically. The second method comprises of finding closed form solutions of the equations.

Isothermal vapor-liquid equilibria for the systems 1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride

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

Kang, Y.W.; Lee, Y.Y.

1997-03-01

Isothermal vapor-liquid equilibria for the three binary systems (1-chloro-1,1-difluoroethane + hydrogen fluoride, 1,1-dichloro-1-fluoroethane + hydrogen fluoride, and chlorodifluoromethane + hydrogen fluoride) have been measured. The experimental data for the binary systems are correlated with the NRTL equation with the vapor-phase association model for the mixtures containing hydrogen fluoride, and the relevant parameters are presented. All of the systems form minimum boiling heterogeneous azeotropes.

Effect of genetic algorithm as a variable selection method on different chemometric models applied for the analysis of binary mixture of amoxicillin and flucloxacillin: A comparative study

NASA Astrophysics Data System (ADS)

Attia, Khalid A. M.; Nassar, Mohammed W. I.; El-Zeiny, Mohamed B.; Serag, Ahmed

2016-03-01

Different chemometric models were applied for the quantitative analysis of amoxicillin (AMX), and flucloxacillin (FLX) in their binary mixtures, namely, partial least squares (PLS), spectral residual augmented classical least squares (SRACLS), concentration residual augmented classical least squares (CRACLS) and artificial neural networks (ANNs). All methods were applied with and without variable selection procedure (genetic algorithm GA). The methods were used for the quantitative analysis of the drugs in laboratory prepared mixtures and real market sample via handling the UV spectral data. Robust and simpler models were obtained by applying GA. The proposed methods were found to be rapid, simple and required no preliminary separation steps.

Thermo-acoustical molecular interaction study in binary mixtures of glycerol and ethylene glycol

NASA Astrophysics Data System (ADS)

Kaur, Kirandeep; Juglan, K. C.; Kumar, Harsh

2017-07-01

Ultrasonic velocity, density and viscosity are measured over the entire composition range for binary liquid mixtures of glycerol (CH2OH-CHOH-CH2OH) and ethylene glycol (HOCH2CH2OH) at different temperatures and constant frequency of 2MHz using ultrasonic interferometer, specific gravity bottle and viscometer respectively. Measured experimental values are used to obtained various acoustical parameters such as adiabatic compressibility, acoustic impedance, intermolecular free length, relaxation time, ultrasonic attenuation, effective molar weight, free volume, available volume, molar volume, Wada's constant, Rao's constant, Vander Waal's constant, internal pressure, Gibb's free energy and enthalpy. The variation in acoustical parameters are interpreted in terms of molecular interactions between the components of molecules of binary liquid mixtures.

Accretion and Magnetic Reconnection in the Classical T Tauri Binary DQ Tau

NASA Astrophysics Data System (ADS)

Tofflemire, Benjamin M.; Mathieu, Robert D.; Ardila, David R.; Akeson, Rachel L.; Ciardi, David R.; Johns-Krull, Christopher; Herczeg, Gregory J.; Quijano-Vodniza, Alberto

2017-01-01

The theory of binary star formation predicts that close binaries (a < 100 au) will experience periodic pulsed accretion events as streams of material form at the inner edge of a circumbinary disk (CBD), cross a dynamically cleared gap, and feed circumstellar disks or accrete directly onto the stars. The archetype for the pulsed accretion theory is the eccentric, short-period, classical T Tauri binary DQ Tau. Low-cadence (˜daily) broadband photometry has shown brightening events near most periastron passages, just as numerical simulations would predict for an eccentric binary. Magnetic reconnection events (flares) during the collision of stellar magnetospheres near periastron could, however, produce the same periodic, broadband behavior when observed at a one-day cadence. To reveal the dominant physical mechanism seen in DQ Tau’s low-cadence observations, we have obtained continuous, moderate-cadence, multiband photometry over 10 orbital periods, supplemented with 27 nights of minute-cadence photometry centered on four separate periastron passages. While both accretion and stellar flares are present, the dominant timescale and morphology of brightening events are characteristic of accretion. On average, the mass accretion rate increases by a factor of five near periastron, in good agreement with recent models. Large variability is observed in the morphology and amplitude of accretion events from orbit to orbit. We argue that this is due to the absence of stable circumstellar disks around each star, compounded by inhomogeneities at the inner edge of the CBD and within the accretion streams themselves. Quasiperiodic apastron accretion events are also observed, which are not predicted by binary accretion theory.

Nanophase diagram of binary eutectic Au-Ge nanoalloys for vapor-liquid-solid semiconductor nanowires growth

NASA Astrophysics Data System (ADS)

Lu, Haiming; Meng, Xiangkang

2015-06-01

Although the vapor-liquid-solid growth of semiconductor nanowire is a non-equilibrium process, the equilibrium phase diagram of binary alloy provides important guidance on the growth conditions, such as the temperature and the equilibrium composition of the alloy. Given the small dimensions of the alloy seeds and the nanowires, the known phase diagram of bulk binary alloy cannot be expected to accurately predict the behavior of the nanowire growth. Here, we developed a unified model to describe the size- and dimensionality-dependent equilibrium phase diagram of Au-Ge binary eutectic nanoalloys based on the size-dependent cohesive energy model. It is found that the liquidus curves reduce and shift leftward with decreasing size and dimensionality. Moreover, the effects of size and dimensionality on the eutectic composition are small and negligible when both components in binary eutectic alloys have the same dimensionality. However, when two components have different dimensionality (e.g. Au nanoparticle-Ge nanowire usually used in the semiconductor nanowires growth), the eutectic composition reduces with decreasing size.

Frequent statistics of link-layer bit stream data based on AC-IM algorithm

NASA Astrophysics Data System (ADS)

Cao, Chenghong; Lei, Yingke; Xu, Yiming

2017-08-01

At present, there are many relevant researches on data processing using classical pattern matching and its improved algorithm, but few researches on statistical data of link-layer bit stream. This paper adopts a frequent statistical method of link-layer bit stream data based on AC-IM algorithm for classical multi-pattern matching algorithms such as AC algorithm has high computational complexity, low efficiency and it cannot be applied to binary bit stream data. The method's maximum jump distance of the mode tree is length of the shortest mode string plus 3 in case of no missing? In this paper, theoretical analysis is made on the principle of algorithm construction firstly, and then the experimental results show that the algorithm can adapt to the binary bit stream data environment and extract the frequent sequence more accurately, the effect is obvious. Meanwhile, comparing with the classical AC algorithm and other improved algorithms, AC-IM algorithm has a greater maximum jump distance and less time-consuming.

Quantitative measurement of binary liquid distributions using multiple-tracer x-ray fluorescence and radiography

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

Halls, Benjamin R.; Meyer, Terrence R.; Kastengren, Alan L.

2015-01-01

The complex geometry and large index-of-refraction gradients that occur near the point of impingement of binary liquid jets present a challenging environment for optical interrogation. A simultaneous quadruple-tracer x-ray fluorescence and line-of-sight radiography technique is proposed as a means of distinguishing and quantifying individual liquid component distributions prior to, during, and after jet impact. Two different pairs of fluorescence tracers are seeded into each liquid stream to maximize their attenuation ratio for reabsorption correction and differentiation of the two fluids during mixing. This approach for instantaneous correction of x-ray fluorescence reabsorption is compared with a more time-intensive approach of usingmore » stereographic reconstruction of x-ray attenuation along multiple lines of sight. The proposed methodology addresses the need for a quantitative measurement technique capable of interrogating optically complex, near-field liquid distributions in many mixing systems of practical interest involving two or more liquid streams.« less

Gas-liquid chromatography with a volatile "stationary" liquid phase.

PubMed

Wells, P S; Zhou, S; Parcher, J F

2002-05-01

A unique type of gas-liquid chromatography is described in which both mobile and "stationary" phases are composed of synthetic mixtures of helium and carbon dioxide. At temperatures below the critical point of the binary mixture and pressures above the vapor pressure of pure liquid carbon dioxide, helium and carbon dioxide can form two immiscible phases over extended composition ranges. A binary vapor phase enriched in helium can act as the mobile phase for chromatographic separations, whereas a CO2-rich liquid in equilibrium with the vapor phase, but condensed on the column wall, can act as a pseudostationary phase. Several examples of chromatographic separations obtained in "empty" capillary columns with no ordinary stationary liquid phase illustrate the range of conditions that produce such separations. In addition, several experiments are reported that confirm the proposed two-phase hypothesis. The possible consequences of the observed chromatographic phenomenon in the field of supercritical fluid chromatography with helium headspace carbon dioxide are discussed.

Structural and dielectric behaviors of Bi4Ti3O12 - lyotropic liquid crystalline nanocolloids

NASA Astrophysics Data System (ADS)

Shukla, Ravi K.; Raina, K. K.

2018-03-01

We investigated the structural and dielectric dynamics of nanocolloids comprising lyotropic liquid crystals and bismuth titanate (Bi4Ti3O12) spherical nanoparticles (≈16-18 nm) of varying concentration 0.05 and 0.1 wt%. The lyotropic liquid crystalline mixture was prepared by a binary mixture of cetylpyridinuium chloride and ethylene glycol mixed in 5:95 wt% ratio. Binary lyotropic mixture exhibited hexagonal lyotropic phase. Structural and textural characterizations of nanocolloids infer that the nanoparticles were homogeneously dispersed in the liquid crystalline matrix and did not perturb the hexagonal ordering of the lyotropic phase. The dielectric constant and dielectric strength were found to be increased with the rise in the Bi4Ti3O12 nanoparticles concertation in the lyotropic matrix. A significant increase of one order was observed in the ac conductivity of colloidal systems as compared to the non-doped lyotropic liquid crystal. Relaxation parameters of the non-doped lyotropic liquid crystal and colloidal systems were computed and correlated with other parameters.

Quantitative measurement of binary liquid distributions using multiple-tracer x-ray fluorescence and radiography

DOE PAGES

Halls, Benjamin R.; Meyer, Terrence R.; Kastengren, Alan L.

2015-01-23

The complex geometry and large index-of-refraction gradients that occur near the point of impingement of binary liquid jets present a challenging environment for optical interrogation. A simultaneous quadruple-tracer x-ray fluorescence and line-of-sight radiography technique is proposed as a means of distinguishing and quantifying individual liquid component distributions prior to, during, and after jet impact. Two different pairs of fluorescence tracers are seeded into each liquid stream to maximize their attenuation ratio for reabsorption correction and differentiation of the two fluids during mixing. This approach for instantaneous correction of x-ray fluorescence reabsorption is compared with a more time-intensive approach of usingmore » stereographic reconstruction of x-ray attenuation along multiple lines of sight. The proposed methodology addresses the need for a quantitative measurement technique capable of interrogating optically complex, near-field liquid distributions in many mixing systems of practical interest involving two or more liquid streams.« less

On the role of structure-dynamic relationship in determining the excess entropy of mixing and chemical ordering in binary square-well liquid alloys

NASA Astrophysics Data System (ADS)

Lalneihpuii, R.; Shrivastava, Ruchi; Mishra, Raj Kumar

2018-05-01

Using statistical mechanical model with square-well (SW) interatomic potential within the frame work of mean spherical approximation, we determine the composition dependent microscopic correlation functions, interdiffusion coefficients, surface tension and chemical ordering in Ag-Cu melts. Further Dzugutov universal scaling law of normalized diffusion is verified with SW potential in binary mixtures. We find that the excess entropy scaling law is valid for SW binary melts. The partial and total structure factors in the attractive and repulsive regions of the interacting potential are evaluated and then Fourier transformed to get partial and total radial distribution functions. A good agreement between theoretical and experimental values for total structure factor and the reduced radial distribution function are observed, which consolidates our model calculations. The well-known Bhatia-Thornton correlation functions are also computed for Ag-Cu melts. The concentration-concentration correlations in the long wavelength limit in liquid Ag-Cu alloys have been analytically derived through the long wavelength limit of partial correlation functions and apply it to demonstrate the chemical ordering and interdiffusion coefficients in binary liquid alloys. We also investigate the concentration dependent viscosity coefficients and surface tension using the computed diffusion data in these alloys. Our computed results for structure, transport and surface properties of liquid Ag-Cu alloys obtained with square-well interatomic interaction are fully consistent with their corresponding experimental values.

Calculation of the surface tension of liquid Ga-based alloys

NASA Astrophysics Data System (ADS)

Dogan, Ali; Arslan, Hüseyin

2018-05-01

As known, Eyring and his collaborators have applied the structure theory to the properties of binary liquid mixtures. In this work, the Eyring model has been extended to calculate the surface tension of liquid Ga-Bi, Ga-Sn and Ga-In binary alloys. It was found that the addition of Sn, In and Bi into Ga leads to significant decrease in the surface tension of the three Ga-based alloy systems, especially for that of Ga-Bi alloys. The calculated surface tension values of these alloys exhibit negative deviation from the corresponding ideal mixing isotherms. Moreover, a comparison between the calculated results and corresponding literature data indicates a good agreement.

A contact binary asteroid evolutionary cycle driven by BYORP & the classical Laplace plane

NASA Astrophysics Data System (ADS)

Rieger, Samantha; Scheeres, Daniel J.

2017-10-01

Several contact binaries have been observed to have high obliquities distributed around 90°. With this information, we explore the possibility of these high obliquities being a key characteristic that causes an evolutionary cycle of contact binary formation and separation.The contact binary cycle begins with a single asteroid that is spinning up due to the YORP effect. For the binary cycle we assume YORP will drive the obliquity to 90°. Eventually, the asteroid will reach a critical spin frequency that will cause the asteroid to fission into a binary. We assume that the mass-ratio, q, of the system is greater than 0.2. With a high q, the secondary will not escape/impact the primary but will evolve through tides into a stable circular double-synchronous orbit. The binary being synchronous will cause the forces from BYORP to have secular effects on the system. For this cycle, BYORP will need to expand the secondary away from the primary.As the system expands, we have found that the secondary will follow the classical Laplace plane. Therefore, the secondary’s orbit will increase in inclination with respect to the equator as the secondary’s orbit expands. The Laplace plane is a stable orbit to perturbations from J2 & Sun tides except for an instability region that exists for primaries with obliquities above 68.875° & a secondary orbital radius of 13.5-19.5 primary radii. Once BYORP expands the secondary into this instability region, the eccentricity of the secondary’s orbit will increase until the orbit intersects with the primary & causes an impact. This impact will create a contact binary with a new obliquity that will randomly range from 23°-150°. The cycle will begin again with YORP driving the contact binary to an obliquity of 90°.Our contribution will discuss the proposed contact binary cycle in more detail, including the mechanics of the system that drives the events given above. We will include investigations into how losing synchronous lock will disrupt the eccentricity growth in the Laplace plane instability region. We will also discuss the time scales of each event to help predict which part of the cycle we will most likely to be observing when discovering new contact binaries & binary systems.

Cryopreservation of human sperm: efficacy and use of a new nitrogen-free controlled rate freezer versus liquid nitrogen vapour freezing.

PubMed

Creemers, E; Nijs, M; Vanheusden, E; Ombelet, W

2011-12-01

Preservation of spermatozoa is an important aspect of assisted reproductive medicine. The aim of this study was to investigate the efficacy and use of a recently developed liquid nitrogen and cryogen-free controlled rate freezer and this compared with the classical liquid nitrogen vapour freezing method for the cryopreservation of human spermatozoa. Ten patients entering the IVF programme donated semen samples for the study. Samples were analysed according to the World Health Organization guidelines. No significant difference in total sperm motility after freeze-thawing between the new technique and classical technique was demonstrated. The advantage of the new freezing technique is that it uses no liquid nitrogen during the freezing process, hence being safer to use and clean room compatible. Investment costs are higher for the apparatus but running costs are only 1% in comparison with classical liquid nitrogen freezing. In conclusion, post-thaw motility of samples frozen with the classical liquid nitrogen vapour technique was comparable with samples frozen with the new nitrogen-free freezing technique. This latter technique can thus be a very useful asset to the sperm cryopreservation laboratory. © 2011 Blackwell Verlag GmbH.

Molecular dynamics study of polysaccharides in binary solvent mixtures of an ionic liquid and water.

PubMed

Liu, Hanbin; Sale, Kenneth L; Simmons, Blake A; Singh, Seema

2011-09-01

Some ionic liquids (ILs) have great promise as effective solvents for biomass pretreatment, and there are several that have been reported that can dissolve large amounts of cellulose. The solubilized cellulose can then be recovered by addition of antisolvents, such as water or ethanol, and this regeneration process plays an important role in the subsequent enzymatic saccharification reactions and in the recovery of the ionic liquid. To date, little is known about the fundamental intermolecular interactions that drive the dissolution and subsequent regeneration of cellulose in complex mixtures of ionic liquids, water, and cellulose. To investigate these interactions, in this work, molecular dynamics (MD) simulations were carried out to study binary and ternary mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]) with water and a cellulose oligomer. Simulations of a cellulose oligomer dissolved in three concentrations of binary mixtures of [C2mim][OAc] and water were used to represent the ternary system in the dissolution phase (high [C2mim][OAc] concentration) and present during the initial phase of the regeneration step (intermediate and low [C2mim][OAc] concentrations). The MD analysis of the structure and dynamics that exist in these binary and ternary mixtures provides information on the key intermolecular interactions between cellulose and [C2mim][OAc] that lead to dissolution of cellulose and the key intermolecular interactions in the intermediate states of cellulose precipitation as a function of water content in the cellulose/IL/water system. The analysis of this intermediate state provides new insight into the molecular driving forces present in this ternary system. © 2011 American Chemical Society

Polar codes for achieving the classical capacity of a quantum channel

NASA Astrophysics Data System (ADS)

Guha, Saikat; Wilde, Mark

2012-02-01

We construct the first near-explicit, linear, polar codes that achieve the capacity for classical communication over quantum channels. The codes exploit the channel polarization phenomenon observed by Arikan for classical channels. Channel polarization is an effect in which one can synthesize a set of channels, by ``channel combining'' and ``channel splitting,'' in which a fraction of the synthesized channels is perfect for data transmission while the other fraction is completely useless for data transmission, with the good fraction equal to the capacity of the channel. Our main technical contributions are threefold. First, we demonstrate that the channel polarization effect occurs for channels with classical inputs and quantum outputs. We then construct linear polar codes based on this effect, and the encoding complexity is O(N log N), where N is the blocklength of the code. We also demonstrate that a quantum successive cancellation decoder works well, i.e., the word error rate decays exponentially with the blocklength of the code. For a quantum channel with binary pure-state outputs, such as a binary-phase-shift-keyed coherent-state optical communication alphabet, the symmetric Holevo information rate is in fact the ultimate channel capacity, which is achieved by our polar code.

A generalized theory of chromatography and multistep liquid extraction

NASA Astrophysics Data System (ADS)

Chizhkov, V. P.; Boitsov, V. N.

2017-03-01

A generalized theory of chromatography and multistep liquid extraction is developed. The principles of highly efficient processes for fine preparative separation of binary mixture components on a fixed sorbent layer are discussed.

Physicochemical properties and solubility of alkyl-(2-hydroxyethyl)-dimethylammonium bromide.

PubMed

Domańska, Urszula; Bogel-Łukasik, Rafał

2005-06-23

Quaternary ammonium salts, which are precursors of ionic liquids, have been prepared from N,N-dimethylethanolamine as a substrate. The paper includes specific basic characterization of synthesized compounds via the following procedures: nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectra, water content, mass spectroscopy (MS) spectra, temperatures of decompositions, basic thermodynamic properties of pure ionic liquids (the melting point, enthalpy of fusion, enthalpy of solid-solid phase transition, glass transition), and the difference in the solute heat capacity between the liquid and solid at the melting temperature determined by differential scanning calorimetry (DSC). The (solid + liquid) phase equilibria of binary mixtures containing (quaternary ammonium salt + water, or + 1-octanol) has been measured by a dynamic method over wide range of temperatures, from 230 K to 560 K. These data were correlated by means of the UNIQUAC ASM and modified nonrandom two-liquid NRTL1 equations utilizing parameters derived from the (solid + liquid) equilibrium. The partition coefficient of ionic liquid in the 1-octanol/water binary system has been calculated from the solubility results. Experimental partition coefficients (log P) were negative at three temperatures.

The potential of incorporation of binary salts and ionic liquid in P(VP-co-VAc) gel polymer electrolyte in electrochemical and photovoltaic performances

PubMed Central

Ming, Ng Hon; Ramesh, S.; Ramesh, K.

2016-01-01

In this study, dye-sensitized solar cells (DSSCs) has been assembled with poly(1-vinylpyrrolidone-co-vinyl acetate) (P(VP-co-VAc)) gel polymer electrolytes (GPEs) which have been incorporated with binary salt and an ionic liquid. The potential of this combination was studied and reported. The binary salt system GPEs was having ionic conductivity and power conversion efficiency (PCE) that could reach up to 1.90 × 10−3 S cm−1 and 5.53%, respectively. Interestingly, upon the addition of the ionic liquid, MPII into the binary salt system the ionic conductivity and PCE had risen steadily up to 4.09 × 10−3 S cm−1 and 5.94%, respectively. In order to know more about this phenomenon, the electrochemical impedance studies (EIS) of the GPE samples have been done and reported. Fourier transform infrared studies (FTIR) and thermogravimetric analysis (TGA) have also been studied to understand more on the structural and thermal properties of the GPEs. The Nyquist plot and Bodes plot studies have been done in order to understand the electrochemical properties of the GPE based DSSCs and Tafel polarization studies were done to determine the electrocatalytic activity of the GPE samples. PMID:27273020

Binary Solvents Dispersive Liquid-Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography.

PubMed

Kiarostami, Vahid; Rouini, Mohamad-Reza; Mohammadian, Razieh; Lavasani, Hoda; Ghazaghi, Mehri

2014-02-03

Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 - 99.6%. Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories.

Electrotransfer in Liquid Binary Aluminum Alloys

NASA Astrophysics Data System (ADS)

Tekuchev, V. V.; Kalinkin, D. P.; Ivanova, I. V.

2018-07-01

The mobility of ions in a liquid binary metal system based on aluminum is calculated for the first time in a wide range of concentrations, based on studies of its resistivity and self-diffusion coefficient. It is established that in an Al-Cu system, the ions of aluminum move to the anode, while Al-Mg, Al-Sn, and Al-Sb move to the cathode; i.e., there is inversion of the electrotransfer of aluminum ions. When the concentration of a component is reduced, the mobility of its ions is increased by the module.

Significant viscosity dependent deviations from classical van Deemter theory in liquid chromatography with porous silica monolithic columns.

PubMed

Nesterenko, Pavel N; Rybalko, Marina A; Paull, Brett

2005-06-01

Significant deviations from classical van Deemter behaviour, indicative of turbulent flow liquid chromatography, has been recorded for mobile phases of varying viscosity on porous silica monolithic columns at elevated mobile phase flow rates.

Restablished Accretion in Post-outburst Classical Novae Revealed by X-rays

NASA Astrophysics Data System (ADS)

Hernanz, Margarita; Ferri, Carlo; Sala, Glòria

2009-05-01

Classical novae are explosions on accreting white dwarfs (hereinafter WDs) in cataclysmic variables (hereinafter CVs) a hydrogen thermonuclear runaway on top of the WD is responsible for the outburst. X-rays provide a unique way to study the turn-off of H-burning, because super soft X-rays reveal the hot WD photosphere, but also to understand how accretion is established again in the binary system. Observations with XMM-Newton of some post-outburst novae have revealed such a process, but a coverage up to larger energies -as Simbol-X will provide- is fundamental to well understand the characteristics of the binary system and of the nova ejecta. We present a brief summary of our results up to now and prospects for the Simbol-X mission.

Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)].

PubMed

Miller, Thomas F; Manolopoulos, David E; Madden, Paul A; Konieczny, Martin; Oberhofer, Harald

2005-02-01

We show that the two phase points considered in the recent simulations of liquid para hydrogen by Hone and Voth lie in the liquid-vapor coexistence region of a purely classical molecular dynamics simulation. By contrast, their phase point for ortho deuterium was in the one-phase liquid region for both classical and quantum simulations. These observations are used to account for their report that quantum mechanical effects enhance the diffusion in liquid para hydrogen and decrease it in ortho deuterium.(c) 2005 American Institute of Physics.

Effect of gold nanoparticles on structure and dynamics of binary Lennard-Jones liquid: direct space analysis.

PubMed

Separdar, L; Davatolhagh, S

2013-02-01

We investigate the static structure and diffusive dynamics of binary Lennard-Jones mixture upon supercooling in the presence of gold nanoparticle within the framework of the mode-coupling theory of the dynamic glass transition in the direct space by means of constant-NVT molecular dynamics simulations. It is found that the presence of gold nanoparticle causes the energy per particle and the pressure of this system to decrease with respect to the bulk binary Lennard-Jones mixture. Furthermore, the presence of nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution functions to become shorter with respect to the bulk binary Lennard-Jones liquid. The dynamics of the liquid at a given density is found to be consistent with the mode-coupling theory (MCT) predictions in a certain range at low temperatures. In accordance with the idealized MCT, the diffusion constants D(T) show a power-law behavior at low temperatures for both types of binary Lennard-Jones (BLJ) particles as well as the gold atoms comprising the nanoparticle. The mode-coupling crossover temperature T(c) is the same for all particle types; however, T(c)=0.4 is reduced with respect to that of the bulk BLJ liquid, and the γ exponent is found to depend on the particle type. The existence of the nanoparticle causes the short-time β-relaxation regime to shorten and the range of validity of the MCT shrinks with respect to the bulk BLJ. It is also found that at intermediate and low temperatures the curves of the mean-squared displacements (MSDs) versus tD(T) fall onto a master curve. The MSDs follow the master curve in an identical time range with the long-time α-relaxation regime of the mode-coupling theory. By obtaining the viscosity, it is observed that the Stokes-Einstein relation remains valid at high and intermediate temperatures but breaks down as the temperatures approach T(c) as a result of the cooperative motion or activated processes.

Breakthrough in orbit determination of a binary. - In expectation of astrometric observations with high precision such as VERA and JASMINE -

NASA Astrophysics Data System (ADS)

Asada, Hideki

2006-11-01

There exists a very classical inverse problem regarding orbit determination of a binary system: "when an orbital plane of two bodies is inclined with respect to the line of sight, observables are their positions projected onto a celestial sphere. How do we determine the orbital elements from observations?" A "complete exact solution" has been found. It is reviewed with some related topics.

General simulation algorithm for autocorrelated binary processes.

PubMed

Serinaldi, Francesco; Lombardo, Federico

2017-02-01

The apparent ubiquity of binary random processes in physics and many other fields has attracted considerable attention from the modeling community. However, generation of binary sequences with prescribed autocorrelation is a challenging task owing to the discrete nature of the marginal distributions, which makes the application of classical spectral techniques problematic. We show that such methods can effectively be used if we focus on the parent continuous process of beta distributed transition probabilities rather than on the target binary process. This change of paradigm results in a simulation procedure effectively embedding a spectrum-based iterative amplitude-adjusted Fourier transform method devised for continuous processes. The proposed algorithm is fully general, requires minimal assumptions, and can easily simulate binary signals with power-law and exponentially decaying autocorrelation functions corresponding, for instance, to Hurst-Kolmogorov and Markov processes. An application to rainfall intermittency shows that the proposed algorithm can also simulate surrogate data preserving the empirical autocorrelation.

NASA Tech Briefs, March 2011

NASA Technical Reports Server (NTRS)

2011-01-01

Topics covered include: Optimal Tuner Selection for Kalman-Filter-Based Aircraft Engine Performance Estimation; Airborne Radar Interferometric Repeat-Pass Processing; Plug-and-Play Environmental Monitoring Spacecraft Subsystem; Power-Combined GaN Amplifier with 2.28-W Output Power at 87 GHz; Wallops Ship Surveillance System; Source Lines Counter (SLiC) Version 4.0; Guidance, Navigation, and Control Program; Single-Frame Terrain Mapping Software for Robotic Vehicles; Auto Draw from Excel Input Files; Observation Scheduling System; CFDP for Interplanetary Overlay Network; X-Windows Widget for Image Display; Binary-Signal Recovery; Volumetric 3D Display System with Static Screen; MMIC Replacement for Gunn Diode Oscillators; Feature Acquisition with Imbalanced Training Data; Mount Protects Thin-Walled Glass or Ceramic Tubes from Large Thermal and Vibration Loads; Carbon Nanotube-Based Structural Health Monitoring Sensors; Wireless Inductive Power Device Suppresses Blade Vibrations; Safe, Advanced, Adaptable Isolation System Eliminates the Need for Critical Lifts; Anti-Rotation Device Releasable by Insertion of a Tool; A Magnetically Coupled Cryogenic Pump; Single Piezo-Actuator Rotary-Hammering Drill; Fire-Retardant Polymeric Additives; Catalytic Generation of Lift Gases for Balloons; Ionic Liquids to Replace Hydrazine; Variable Emittance Electrochromics Using Ionic Electrolytes and Low Solar Absorptance Coatings; Spacecraft Radiator Freeze Protection Using a Regenerative Heat Exchanger; Multi-Mission Power Analysis Tool; Correction for Self-Heating When Using Thermometers as Heaters in Precision Control Applications; Gravitational Wave Detection with Single-Laser Atom Interferometers; Titanium Alloy Strong Back for IXO Mirror Segments; Improved Ambient Pressure Pyroelectric Ion Source; Multi-Modal Image Registration and Matching for Localization of a Balloon on Titan; Entanglement in Quantum-Classical Hybrid; Algorithm for Autonomous Landing; Quantum-Classical Hybrid for Information Processing; Small-Scale Dissipation in Binary-Species Transitional Mixing Layers; Superpixel-Augmented Endmember Detection for Hyperspectral Images; Coding for Parallel Links to Maximize the Expected Value of Decodable Messages; and Microwave Tissue Soldering for Immediate Wound Closure.

Binary Colloidal Alloy Test-5: Aspheres

NASA Technical Reports Server (NTRS)

Chaikin, Paul M.; Hollingsworth, Andrew D.

2008-01-01

The Binary Colloidal Alloy Test - 5: Aspheres (BCAT-5-Aspheres) experiment photographs initially randomized colloidal samples (tiny nanoscale spheres suspended in liquid) in microgravity to determine their resulting structure over time. BCAT-5-Aspheres will study the properties of concentrated systems of small particles when they are identical, but not spherical in microgravity..

Composition inversion in mixtures of binary colloids and polymer

NASA Astrophysics Data System (ADS)

Zhang, Isla; Pinchaipat, Rattachai; Wilding, Nigel B.; Faers, Malcolm A.; Bartlett, Paul; Evans, Robert; Royall, C. Patrick

2018-05-01

Understanding the phase behaviour of mixtures continues to pose challenges, even for systems that might be considered "simple." Here, we consider a very simple mixture of two colloidal and one non-adsorbing polymer species, which can be simplified even further to a size-asymmetrical binary mixture, in which the effective colloid-colloid interactions depend on the polymer concentration. We show that this basic system exhibits surprisingly rich phase behaviour. In particular, we enquire whether such a system features only a liquid-vapor phase separation (as in one-component colloid-polymer mixtures) or whether, additionally, liquid-liquid demixing of two colloidal phases can occur. Particle-resolved experiments show demixing-like behaviour, but when combined with bespoke Monte Carlo simulations, this proves illusory, and we reveal that only a single liquid-vapor transition occurs. Progressive migration of the small particles to the liquid phase as the polymer concentration increases gives rise to composition inversion—a maximum in the large particle concentration in the liquid phase. Close to criticality, the density fluctuations are found to be dominated by the larger colloids.

On the Relationship Between Classical Test Theory and Item Response Theory: From One to the Other and Back.

PubMed

Raykov, Tenko; Marcoulides, George A

2016-04-01

The frequently neglected and often misunderstood relationship between classical test theory and item response theory is discussed for the unidimensional case with binary measures and no guessing. It is pointed out that popular item response models can be directly obtained from classical test theory-based models by accounting for the discrete nature of the observed items. Two distinct observational equivalence approaches are outlined that render the item response models from corresponding classical test theory-based models, and can each be used to obtain the former from the latter models. Similarly, classical test theory models can be furnished using the reverse application of either of those approaches from corresponding item response models.

Binary Solvents Dispersive Liquid—Liquid Microextraction (BS-DLLME) Method for Determination of Tramadol in Urine Using High-Performance Liquid Chromatography

PubMed Central

2014-01-01

Background Tramadol is an opioid, synthetic analog of codeine and has been used for the treatment of acute or chronic pain may be abused. In this work, a developed Dispersive liquid liquid microextraction (DLLME) as binary solvents-based dispersive liquid-liquid microextraction (BS-DLLME) combined with high performance liquid chromatography (HPLC) with fluorescence detection (FD) was employed for determination of tramadol in the urine samples. This procedure involves the use of an appropriate mixture of binary extraction solvents (70 μL CHCl3 and 30 μL ethyl acetate) and disperser solvent (600 μL acetone) for the formation of cloudy solution in 5 ml urine sample comprising tramadol and NaCl (7.5%, w/v). After centrifuging, the small droplets of extraction solvents were precipitated. In the final step, the HPLC with fluorescence detection was used for determination of tramadol in the precipitated phase. Results Various factors on the efficiency of the proposed procedure were investigated and optimized. The detection limit (S/N = 3) and quantification limit (S/N = 10) were found 0.2 and 0.9 μg/L, respectively. The relative standard deviations (RSD) for the extraction of 30 μg L of tramadol was found 4.1% (n = 6). The relative recoveries of tramadol from urine samples at spiking levels of 10, 30 and 60 μg/L were in the range of 95.6 – 99.6%. Conclusions Compared with other methods, this method provides good figures of merit such as good repeatability, high extraction efficiency, short analysis time, simple procedure and can be used as microextraction technique for routine analysis in clinical laboratories. PMID:24495475

Hamiltonian structure of classical N-body systems of finite-size particles subject to EM interactions

NASA Astrophysics Data System (ADS)

Cremaschini, C.; Tessarotto, M.

2012-01-01

An open issue in classical relativistic mechanics is the consistent treatment of the dynamics of classical N-body systems of mutually interacting particles. This refers, in particular, to charged particles subject to EM interactions, including both binary interactions and self-interactions ( EM-interacting N- body systems). The correct solution to the question represents an overriding prerequisite for the consistency between classical and quantum mechanics. In this paper it is shown that such a description can be consistently obtained in the context of classical electrodynamics, for the case of a N-body system of classical finite-size charged particles. A variational formulation of the problem is presented, based on the N -body hybrid synchronous Hamilton variational principle. Covariant Lagrangian and Hamiltonian equations of motion for the dynamics of the interacting N-body system are derived, which are proved to be delay-type ODEs. Then, a representation in both standard Lagrangian and Hamiltonian forms is proved to hold, the latter expressed by means of classical Poisson Brackets. The theory developed retains both the covariance with respect to the Lorentz group and the exact Hamiltonian structure of the problem, which is shown to be intrinsically non-local. Different applications of the theory are investigated. The first one concerns the development of a suitable Hamiltonian approximation of the exact equations that retains finite delay-time effects characteristic of the binary interactions and self-EM-interactions. Second, basic consequences concerning the validity of Dirac generator formalism are pointed out, with particular reference to the instant-form representation of Poincaré generators. Finally, a discussion is presented both on the validity and possible extension of the Dirac generator formalism as well as the failure of the so-called Currie "no-interaction" theorem for the non-local Hamiltonian system considered here.

Recent progress in understanding the eruptions of classical novae

NASA Technical Reports Server (NTRS)

Shara, Michael M.

1988-01-01

Dramatic progress has occurred in the last two decades in understanding the physical processes and events leading up to, and transpiring during the eruption of a classical nova. The mechanism whereby a white dwarf accreting hydrogen-rich matter from a low-mass main-sequence companion produces a nova eruption has been understood since 1970. The mass-transferring binary stellar configuration leads inexorably to thermonuclear runaways detected at distances of megaparsecs. Summarized here are the efforts of many researchers in understanding the physical processes which generate nova eruptions; the effects upon nova eruptions of different binary-system parameters (e.g., chemical composition or mass of the white dwarf, different mass accretion rates); the possible metamorphosis from dwarf to classical novae and back again; and observational diagnostics of novae, including x ray and gamma ray emission, and the characteristics and distributions of novae in globular clusters and in extragalactic systems. While the thermonuclear-runaway model remains the successful cornerstone of nova simulation, it is now clear that a wide variety of physical processes, and three-dimensional hydrodynamic simulations, will be needed to explain the rich spectrum of behavior observed in erupting novae.

New Method of Calculating a Multiplication by using the Generalized Bernstein-Vazirani Algorithm

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed

2018-06-01

We present a new method of more speedily calculating a multiplication by using the generalized Bernstein-Vazirani algorithm and many parallel quantum systems. Given the set of real values a1,a2,a3,\\ldots ,aN and a function g:bf {R}→ {0,1}, we shall determine the following values g(a1),g(a2),g(a3),\\ldots , g(aN) simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Next, we consider it as a number in binary representation; M 1 = ( g( a 1), g( a 2), g( a 3),…, g( a N )). By using M parallel quantum systems, we have M numbers in binary representation, simultaneously. The speed of obtaining the M numbers is shown to outperform the classical case by a factor of M. Finally, we calculate the product; M1× M2× \\cdots × MM. The speed of obtaining the product is shown to outperform the classical case by a factor of N × M.

A classical density functional theory of ionic liquids.

PubMed

Forsman, Jan; Woodward, Clifford E; Trulsson, Martin

2011-04-28

We present a simple, classical density functional approach to the study of simple models of room temperature ionic liquids. Dispersion attractions as well as ion correlation effects and excluded volume packing are taken into account. The oligomeric structure, common to many ionic liquid molecules, is handled by a polymer density functional treatment. The theory is evaluated by comparisons with simulations, with an emphasis on the differential capacitance, an experimentally measurable quantity of significant practical interest.

Quantum computation with classical light: Implementation of the Deutsch-Jozsa algorithm

NASA Astrophysics Data System (ADS)

Perez-Garcia, Benjamin; McLaren, Melanie; Goyal, Sandeep K.; Hernandez-Aranda, Raul I.; Forbes, Andrew; Konrad, Thomas

2016-05-01

We propose an optical implementation of the Deutsch-Jozsa Algorithm using classical light in a binary decision-tree scheme. Our approach uses a ring cavity and linear optical devices in order to efficiently query the oracle functional values. In addition, we take advantage of the intrinsic Fourier transforming properties of a lens to read out whether the function given by the oracle is balanced or constant.

Chromonic liquid crystalline nematic phase exhibited in binary mixture of two liquid crystals

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

Govindaiah, T. N., E-mail: tngovi.phy@gmail.com; Sreepad, H. R.; Sridhar, K. N.

2015-06-24

A binary mixture of abietic acid and orthophosphoric acid (H{sub 3}PO{sub 4}) exhibits co-existence of biphasic region of Nematic+Isotropic (N+I), lyotropic Nematic (ND) and Smectic-G (SmG) phases. The mixture exhibits N+I, N and SmG phases at different concentrations and at different temperatures. Mixtures with all concentrations of abietic acid exhibit I→N+I→N→SmG phases sequentially when the specimen is cooled from its isotropic melt. These phases have been characterized by using differential scanning calorimetric, X-ray diffraction, and optical texture studies.

Calculating Mass Diffusion in High-Pressure Binary Fluids

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth

2004-01-01

A comprehensive mathematical model of mass diffusion has been developed for binary fluids at high pressures, including critical and supercritical pressures. Heretofore, diverse expressions, valid for limited parameter ranges, have been used to correlate high-pressure binary mass-diffusion-coefficient data. This model will likely be especially useful in the computational simulation and analysis of combustion phenomena in diesel engines, gas turbines, and liquid rocket engines, wherein mass diffusion at high pressure plays a major role.

Process for forming shaped group III-V semiconductor nanocrystals, and product formed using process

DOEpatents

Alivisatos, A. Paul; Peng, Xiaogang; Manna, Liberato

2001-01-01

A process for the formation of shaped Group III-V semiconductor nanocrystals comprises contacting the semiconductor nanocrystal precursors with a liquid media comprising a binary mixture of phosphorus-containing organic surfactants capable of promoting the growth of either spherical semiconductor nanocrystals or rod-like semiconductor nanocrystals, whereby the shape of the semiconductor nanocrystals formed in said binary mixture of surfactants is controlled by adjusting the ratio of the surfactants in the binary mixture.

Process for forming shaped group II-VI semiconductor nanocrystals, and product formed using process

DOEpatents

Alivisatos, A. Paul; Peng, Xiaogang; Manna, Liberato

2001-01-01

A process for the formation of shaped Group II-VI semiconductor nanocrystals comprises contacting the semiconductor nanocrystal precursors with a liquid media comprising a binary mixture of phosphorus-containing organic surfactants capable of promoting the growth of either spherical semiconductor nanocrystals or rod-like semiconductor nanocrystals, whereby the shape of the semiconductor nanocrystals formed in said binary mixture of surfactants is controlled by adjusting the ratio of the surfactants in the binary mixture.

Assessment and prediction of joint algal toxicity of binary mixtures of graphene and ionic liquids.

PubMed

Wang, Zhuang; Zhang, Fan; Wang, Se; Peijnenburg, Willie J G M

2017-10-01

Graphene and ionic liquids (ILs) released into the environment will interact with each other. So far however, the risks associated with the concurrent exposure of biota to graphene and ILs in the environment have received little attention. The research reported here focused on observing and predicting the joint toxicity effects in the green alga Scenedesmus obliquus exposed to binary mixtures of intrinsic graphene (iG)/graphene oxide (GO) and five ILs of varying anionic and cationic types. The isolated ILs in the binary mixtures were the main contributors to toxicity. The binary GO-IL mixtures resulted in more severe joint toxicity than the binary iG-IL mixtures, irrespective of mixture ratios. The mechanism of the joint toxicity may be associated with the adsorption capability of the graphenes for the ILs, the dispersion stability of the graphenes in aquatic media, and modulation of the binary mixtures-induced oxidative stress. A toxic unit assessment showed that the graphene and IL toxicities were additive at low concentration of the mixtures but antagonistic at high concentration of the mixtures. Predictions made using the concentration addition and independent action models were close to the observed joint toxicities regardless of mixture types and mixture ratios. These findings provide new insights that are of use in the risk assessment of mixtures of engineered nanoparticles and other environmentally relevant contaminants. Copyright © 2017 Elsevier Ltd. All rights reserved.

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water.

PubMed

Reschke, Thomas; Zherikova, Kseniya V; Verevkin, Sergey P; Held, Christoph

2016-03-01

Benzoic acid is a model compound for drug substances in pharmaceutical research. Process design requires information about thermodynamic phase behavior of benzoic acid and its mixtures with water and organic solvents. This work addresses phase equilibria that determine stability and solubility. In this work, Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to model the phase behavior of aqueous and organic solutions containing benzoic acid and chlorobenzoic acids. Absolute vapor pressures of benzoic acid and 2-, 3-, and 4-chlorobenzoic acid from literature and from our own measurements were used to determine pure-component PC-SAFT parameters. Two binary interaction parameters between water and/or benzoic acid were used to model vapor-liquid and liquid-liquid equilibria of water and/or benzoic acid between 280 and 413 K. The PC-SAFT parameters and 1 binary interaction parameter were used to model aqueous solubility of the chlorobenzoic acids. Additionally, solubility of benzoic acid in organic solvents was predicted without using binary parameters. All results showed that pure-component parameters for benzoic acid and for the chlorobenzoic acids allowed for satisfying modeling phase equilibria. The modeling approach established in this work is a further step to screen solubility and to predict the whole phase region of mixtures containing pharmaceuticals. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Second derivative in the model of classical binary system

NASA Astrophysics Data System (ADS)

Abubekerov, M. K.; Gostev, N. Yu.

2016-06-01

We have obtained an analytical expression for the second derivatives of the light curve with respect to geometric parameters in the model of eclipsing classical binary systems. These expressions are essentially efficient algorithm to calculate the numerical values of these second derivatives for all physical values of geometric parameters. Knowledge of the values of second derivatives of the light curve at some point provides additional information about asymptotical behaviour of the function near this point and can significantly improve the search for the best-fitting light curve through the use of second-order optimization method. We write the expression for the second derivatives in a form which is most compact and uniform for all values of the geometric parameters and so make it easy to write a computer program to calculate the values of these derivatives.

The apsidal motion of the eccentric eclipsing binary DI Herculis - An apparent discrepancy with general relativity

NASA Technical Reports Server (NTRS)

Guinan, E. F.; Maloney, F. P.

1985-01-01

The apsidal motion of the eccentric eclipsing binary DI Herculis (HD 175227) is determined from an analysis of the available observations and eclipse timings from 1959 to 1984. Least squares solutions to the primary and secondary minima extending over an 84-yr interval yielded a small advance of periastron omega dot of 0.65 deg/100 yr + or - 0.18/100 yr. The observed advance of the periastron is about one seventh of the theoretical value of 4.27 deg/100 yr that is expected from the combined relativistic and classical effects. The discrepancy is about -3.62 deg/100 yr, or a magnitude of about 20 sigma. Classical mechanisms which explain the discrepancy are discussed, together with the possibility that there may be problems with general relativity itself.

Phenomenological model and phase behavior of saturated and unsaturated lipids and cholesterol.

PubMed

Putzel, G Garbès; Schick, M

2008-11-15

We present a phenomenological theory for the phase behavior of ternary mixtures of cholesterol and saturated and unsaturated lipids, one that describes both liquid and gel phases. It leads to the following description of the mechanism of the phase behavior: In a binary system of the lipids, phase separation occurs when the saturated chains are well ordered, as in the gel phase, simply due to packing effects. In the liquid phase, the saturated ones are not sufficiently well ordered for separation to occur. The addition of cholesterol, however, increases the saturated lipid order to the point that phase separation is once again favorable. Our theory addresses this last mechanism-the means by which cholesterol-mediated ordering of membrane lipids leads to liquid-liquid immiscibility. It produces, for the system above the main chain transition of the saturated lipid, phase diagrams in which there can be liquid-liquid phase separation in the ternary system but not in any of the binary ones, while below that temperature it yields the more common phase diagram in which a gel phase, rich in saturated lipid, appears in addition to the two liquid phases.

Magnetic susceptibilities of liquid Cr-Au, Mn-Au and Fe-Au alloys

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

Ohno, S.; Shimakura, H.; Tahara, S.

The magnetic susceptibility of liquid Cr-Au, Mn-Au, Fe-Au and Cu-Au alloys was investigated as a function of temperature and composition. Liquid Cr{sub 1-c}Au{sub c} with 0.5 ≤ c and Mn{sub 1-c}Au{sub c} with 0.3≤c obeyed the Curie-Weiss law with regard to their dependence of χ on temperature. The magnetic susceptibilities of liquid Fe-Au alloys also exhibited Curie-Weiss behavior with a reasonable value for the effective number of Bohr magneton. On the Au-rich side, the composition dependence of χ for liquid TM-Au (TM=Cr, Mn, Fe) alloys increased rapidly with increasing TM content, respectively. Additionally, the composition dependences of χ for liquidmore » Cr-Au, Mn-Au, and Fe-Au alloys had maxima at compositions of 50 at% Cr, 70 at% Mn, and 85 at% Fe, respectively. We compared the composition dependences of χ{sub 3d} due to 3d electrons for liquid binary TM-M (M=Au, Al, Si, Sb), and investigated the relationship between χ{sub 3d} and E{sub F} in liquid binary TM-M alloys at a composition of 50 at% TM.« less

Estimation of the viscosities of liquid binary alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Su, Xiang-Yu

2018-01-01

As one of the most important physical and chemical properties, viscosity plays a critical role in physics and materials as a key parameter to quantitatively understanding the fluid transport process and reaction kinetics in metallurgical process design. Experimental and theoretical studies on liquid metals are problematic. Today, there are many empirical and semi-empirical models available with which to evaluate the viscosity of liquid metals and alloys. However, the parameter of mixed energy in these models is not easily determined, and most predictive models have been poorly applied. In the present study, a new thermodynamic parameter Δ G is proposed to predict liquid alloy viscosity. The prediction equation depends on basic physical and thermodynamic parameters, namely density, melting temperature, absolute atomic mass, electro-negativity, electron density, molar volume, Pauling radius, and mixing enthalpy. Our results show that the liquid alloy viscosity predicted using the proposed model is closely in line with the experimental values. In addition, if the component radius difference is greater than 0.03 nm at a certain temperature, the atomic size factor has a significant effect on the interaction of the binary liquid metal atoms. The proposed thermodynamic parameter Δ G also facilitates the study of other physical properties of liquid metals.

Carbonate-coordinated metal complexes precede the formation of liquid amorphous mineral emulsions of divalent metal carbonates†

PubMed Central

Wolf, Stephan E.; Müller, Lars; Barrea, Raul; Kampf, Christopher J.; Leiterer, Jork; Panne, Ulrich; Hoffmann, Thorsten

2011-01-01

During the mineralisation of metal carbonates MCO3 (M = Ca, Sr, Ba, Mn, Cd, Pb) liquid-like amorphous intermediates emerge. These intermediates that form via a liquid/liquid phase separation behave like a classical emulsion and are stabilized electrostatically. The occurrence of these intermediates is attributed to the formation of highly hydrated networks whose stability is mainly based on weak interactions and the variability of the metal-containing pre-critical clusters. Their existence and compositional freedom are evidenced by electrospray ionization mass spectrometry (ESI-MS). Liquid intermediates in non-classical crystallisation pathways seem to be more common than assumed. PMID:21218241

The Tensile Strength of Liquid Nitrogen

NASA Astrophysics Data System (ADS)

Huang, Jian

1992-01-01

The tensile strength of liquids has been a puzzling subject. On the one hand, the classical nucleation theory has met great success in predicting the nucleation rates of superheated liquids. On the other hand, most of reported experimental values of the tensile strength for different liquids are far below the prediction from the classical nucleation theory. In this study, homogeneous nucleation in liquid nitrogen and its tensile strength have been investigated. Different approaches for determining the pressure amplitude were studied carefully. It is shown that Raman-Nath theory, as modified by the introduction of an effective interaction length, can be used to determine the pressure amplitude in the focal plane of a focusing ultrasonic transducer. The results obtained from different diffraction orders are consistent and in good agreement with other approaches including Debye's theory and solving the KZK equation. The measurement of the tensile strength was carried out in a high pressure stainless steel dewar. A High intensity ultrasonic wave was focused into a small volume of liquid nitrogen in a short time period. A probe laser beam passes through the focal region of a concave spherical transducer with small aperture angle and the transmitted light is detected with a photodiode. The pressure amplitude at the focus is calculated based on the acoustic power radiated into the liquid. In the experiment, the electrical signal on the transducer is gated at its resonance frequency with gate widths of 20 mus to 0.2 ms and temperature range from 77 K to near 100 K. The calculated pressure amplitude is in agreement with the prediction of classical nucleation theory for the nucleation rates from 10^6 to 10^ {11} (bubbles/cm^3 sec). This work provides the experimental evidence that the validity of the classical nucleation theory can be extended to the region of the negative pressure up to -90 atm. This is only the second cryogenic liquid to reach the tensile strength predicted from the classical nucleation theory.

Water-based binary polyol process for the controllable synthesis of silver nanoparticles inhibiting human and foodborne pathogenic bacteria

USDA-ARS?s Scientific Manuscript database

The polyol process is a widely used strategy for producing nanoparticles from various reducible metallic precursors; however it requires a bulk polyol liquid reaction with additional protective agents at high temperatures. Here, we report a water-based binary polyol process using low concentrations ...

Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

NASA Astrophysics Data System (ADS)

Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

2009-02-01

For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.

Benzil: 2-methyl-4-nitroaniline binary single crystals for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Choi, Jaeho; Aggarwal, Mohan D.; Wang, Wen Shan; Penn, Benjamin G.; Frazier, Donald O.

1999-06-01

Benzil:MNA binary organic single crystals have been grown to overcome decomposition tendency and improve mechanical properties of 2-methyl-4-nitroaniline (MNA) which is known to be one of the best organic NLO material. Single crystals of binary system have grown using a transparent Bridgman- Stockbarger system which has fabricated to monitor the growth process. The growth conditions for the flat solid- liquid interface are optimized for the different dopant concentration of benzil. The melt in the self-sealing ampoule is maintained in liquid state without decomposition up to 2 weeks which allows us to grow 20 mm long single crystals. Hardness of 5wt% benzil:MNA is measured to be 13 Kg/mm2 which is 45% higher than benzil. The conversion efficiency of second-harmonic generation is found to be 1.5% with 4.5 mm interaction length. Since MNA is phase-matchable material, this efficiency could be comparable to commercial KDP. Surface quality of binary crystals has maintained its initial condition in air without absorption of water vapor which may be the main cause of surface degradation.

Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method

DOE PAGES

Chen, Mohan; Vella, Joseph R.; Panagiotopoulos, Athanassios Z.; ...

2015-04-08

The structure and dynamics of liquid lithium are studied using two simulation methods: orbital-free (OF) first-principles molecular dynamics (MD), which employs OF density functional theory (DFT), and classical MD utilizing a second nearest-neighbor embedded-atom method potential. The properties we studied include the dynamic structure factor, the self-diffusion coefficient, the dispersion relation, the viscosity, and the bond angle distribution function. Our simulation results were compared to available experimental data when possible. Each method has distinct advantages and disadvantages. For example, OFDFT gives better agreement with experimental dynamic structure factors, yet is more computationally demanding than classical simulations. Classical simulations can accessmore » a broader temperature range and longer time scales. The combination of first-principles and classical simulations is a powerful tool for studying properties of liquid lithium.« less

Effect of the physicochemical properties of binary ionic liquids on lipase activity and stability.

PubMed

Yao, Peipei; Yu, Xinxin; Huang, Xirong

2015-01-01

In the present study, the lipase-catalyzed hydrolysis of p-nitrophenyl butyrate is used as a model reaction to determine the activity and stability of Candida rugosa lipase in binary ionic liquids (ILs). The binary ILs consist of hydrophobic 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim]PF6) and a small amount of hydrophilic 1-butyl-3-methylimidazolium nitrate ([Bmim]NO3) or 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([Bmim]CF3SO3) or 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim]BF4). The activity and the stability of lipase are first correlated with the physicochemical properties of the binary ILs. In the three binary IL systems, both the hydrophilicity and the polarity of the systems increase with the increase of the content of hydrophilic ILs (HILs). At a fixed concentration of HIL, they vary in a descending order of [Bmim]PF6/[Bmim]NO3>[Bmim]PF6/[Bmim]CF3SO3>[Bmim]PF6/[Bmim]BF4. This order is in contrast with the order of the lipase conformation stability, i.e., the higher the polarity of ILs, the more unstable the lipase conformation. However, both the activity and the stability of lipase depend on the type and the content of the HIL in binary ILs, showing a complex dependency. Analysis shows that the catalytic performance of lipase in the binary ILs is affected not only by the direct influence of the ILs on lipase conformation, but also through their indirect influence on the physicochemical properties of water. The present study helps to explore binary IL mixtures suitable for lipase-based biocatalysis. Copyright © 2015 Elsevier B.V. All rights reserved.

Pathways for diffusion in the potential energy landscape of the network glass former SiO2

NASA Astrophysics Data System (ADS)

Niblett, S. P.; Biedermann, M.; Wales, D. J.; de Souza, V. K.

2017-10-01

We study the dynamical behaviour of a computer model for viscous silica, the archetypal strong glass former, and compare its diffusion mechanism with earlier studies of a fragile binary Lennard-Jones liquid. Three different methods of analysis are employed. First, the temperature and time scale dependence of the diffusion constant is analysed. Negative correlation of particle displacements influences transport properties in silica as well as in fragile liquids. We suggest that the difference between Arrhenius and super-Arrhenius diffusive behaviour results from competition between the correlation time scale and the caging time scale. Second, we analyse the dynamics using a geometrical definition of cage-breaking transitions that was proposed previously for fragile glass formers. We find that this definition accurately captures the bond rearrangement mechanisms that control transport in open network liquids, and reproduces the diffusion constants accurately at low temperatures. As the same method is applicable to both strong and fragile glass formers, we can compare correlation time scales in these two types of systems. We compare the time spent in chains of correlated cage breaks with the characteristic caging time and find that correlations in the fragile binary Lennard-Jones system persist for an order of magnitude longer than those in the strong silica system. We investigate the origin of the correlation behaviour by sampling the potential energy landscape for silica and comparing it with the binary Lennard-Jones model. We find no qualitative difference between the landscapes, but several metrics suggest that the landscape of the fragile liquid is rougher and more frustrated. Metabasins in silica are smaller than those in binary Lennard-Jones and contain fewer high-barrier processes. This difference probably leads to the observed separation of correlation and caging time scales.

Intermolecular forces in acetonitrile + ethanol binary liquid mixtures

NASA Astrophysics Data System (ADS)

Elangovan, A.; Shanmugam, R.; Arivazhagan, G.; Mahendraprabu, A.; Karthick, N. K.

2015-10-01

FTIR spectral measurements have been carried out on the binary mixtures of acetonitrile with ethanol at 1:0 (acetonitrile:ethanol), 1:1, 1:2, 1:3 and 0:1 at room temperature. DFT and isosurface calculations have been performed. The acetonitrile + ethanol binary mixtures consist of 1:1, 1:2, 1:3 and 1:4 complexes formed through both the red and blue shifting H-bonds. Inter as well as intra molecular forces are found to exist in 1:3 and 1:4 complexes.

Element distributions after binary fission of /sup 44/Ti

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

Pl-dash-baraneta, R.; Belery, P.; Brzychczyk, J.

1986-08-01

Inclusive and coincidence measurements have been performed to study symmetric fragmentation of /sup 44/Ti binary decay from the /sup 32/S+/sup 12/C reaction at 280 MeV incident energy. Element distributions after binary decay were measured. Angular distributions and fragment correlations are presented. Total c.m. kinetic energy for the symmetric products is extracted from our data and from Monte-Carlo model calculations including Q-italic-value fluctuations. This result was compared to liquid drop model calculations and standard fission systematics. Comparison between the experimental value of the total kinetic energy and the rotating liquid-drop model predictions locates the angular momentum window for symmetric splitting ofmore » /sup 44/Ti between 33h-dash-bar and 38h-dash-bar. It also showed that 50% of the corresponding rotational energy contributes to the total kinetic energy values. The dominant reaction mechanism was found to be symmetric splitting followed by evaporation.« less

Enthalpy and phase behavior of coal derived liquid mixtures. Technical progress report, April-June 1986

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

Yesavage, V.F.; Kidnay, A.J.

Enthalpy measurements for the m-cresol/tetralin binary system, and the quinoline/tertralin binary system have been completed and are included. A calibration check on the calorimeter was performed and is presented in Appendix C. Vapor liquid equilibria measurements for the quinoline/tetralin system have been completed for four isotherms; 250, 275, 300, and 325/sup 0/C. These results and a summary of progress to date for the VLE apparatus are in the appendix at the end of this report. Also, preliminary work has begun on the quinoline/m-cresol/tetralin ternary system. Correlational work has consisted of the development of mathematical expressions for fugacity and enthalpy usingmore » various combinations of mixing rules and equations of state discussed in earlier reports. Also maximum likelihood routines has been written to determine the necessary parameters for binary data obtained in this investigation.« less

Physicochemical Properties of Glycine-Based Ionic Liquid [QuatGly-OEt][EtOSO3] (2-Ethoxy-1-ethyl-1,1-dimethyl-2-oxoethanaminium ethyl sulfate) and Its Binary Mixtures with Poly(ethylene glycol) (Mw = 200) at Various Temperatures

PubMed Central

Wu, Tzi-Yi; Chen, Bor-Kuan; Hao, Lin; Lin, Yuan-Chung; Wang, H. Paul; Kuo, Chung-Wen; Sun, I-Wen

2011-01-01

This work includes specific basic characterization of synthesized glycine-based Ionic Liquid (IL) [QuatGly-OEt][EtOSO3] by NMR, elementary analysis and water content. Thermophysical properties such as density, ρ, viscosity, η, refractive index, n, and conductivity, κ, for the binary mixture of [QuatGly-OEt][EtOSO3] with poly(ethylene glycol) (PEG) [Mw = 200] are measured over the whole composition range. The temperature dependence of density and dynamic viscosity for neat [QuatGly-OEt][EtOSO3] and its binary mixture can be described by an empirical polynomial equation and by the Vogel-Tammann-Fucher (VTF) equation, respectively. The thermal expansion coefficient of the ILs is ascertained using the experimental density results, and the excess volume expansivity is evaluated. The negative values of excess molar volume for the mixture indicate the ion-dipole interactions and packing between IL and PEG oligomer. The results of binary excess property (VmE ) and deviations (Δη, Δxn, ΔΨn, ΔxR, and ΔΨR) are discussed in terms of molecular interactions and molecular structures in the binary mixture. PMID:22272102

A Simple Explanation of the Classic Hydrostatic Paradox

ERIC Educational Resources Information Center

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-01-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the…

Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

PubMed

Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

2017-10-12

Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

Classical Cepheid luminosities from binary companions

NASA Technical Reports Server (NTRS)

Evans, Nancy Remage

1991-01-01

Luminosities for the classical Cepheids Eta Aql, W Sgr, and SU Cas are determined from IUE spectra of their binary companions. Spectral types of the companions are determined from the spectra by comparison with the spectra of standard stars. The absolute magnitude inferred from these spectral types is used to determine the absolute magnitude of the Cepheid, either directly or from the magnitude difference between the two stars. For the temperature range of the companions (A0 V), distinctions of a quarter of a spectral subclass can be made in the comparison between the companions and standard stars. The absolute magnitudes for Eta Aql and W Sgr agree well with the period-luminosity-color relation of Feast and Walker (1987). Random errors are estimated to be 0.3 mag. SU Cas, however, is overluminous for pulsation in the fundamental mode, implying that it is pulsating in an overtone.

The Solubility Parameters of Ionic Liquids

PubMed Central

Marciniak, Andrzej

2010-01-01

The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated. PMID:20559495

Enthalpies of a binary alloy during solidification

NASA Technical Reports Server (NTRS)

Poirier, D. R.; Nandapurkar, P.

1988-01-01

The purpose of the paper is to present a method of calculating the enthalpy of a dendritic alloy during solidification. The enthalpies of the dendritic solid and interdendritic liquid of alloys of the Pb-Sn system are evaluated, but the method could be applied to other binaries, as well. The enthalpies are consistent with a recent evaluation of the thermodynamics of Pb-Sn alloys and with the redistribution of solute in the same during dendritic solidification. Because of the heat of mixing in Pb-Sn alloys, the interdendritic liquid of hypoeutectic alloys (Pb-rich) of less than 50 wt pct Sn has enthalpies that increase as temperature decreases during solidification.

Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

PubMed

Tariq, M; Shimizu, K; Esperança, J M S S; Canongia Lopes, J N; Rebelo, L P N

2015-05-28

The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms, η(x), exhibit clear viscosity minima in the studied T-x range. The results are interpreted using auxiliary molecular dynamics (MD) simulation data in order to correlate the observed η(T,x) trends with the interactions in each mixture, including the balance between electrostatic forces and hydrogen bonding.

Thermodynamic assessment and binary nucleation modeling of Sn-seeded InGaAs nanowires

NASA Astrophysics Data System (ADS)

Ghasemi, Masoomeh; Selleby, Malin; Johansson, Jonas

2017-11-01

We have performed a thermodynamic assessment of the As-Ga-In-Sn system based on the CALculation of PHAse Diagram (CALPHAD) method. This system is part of a comprehensive thermodynamic database that we are developing for nanowire materials. Specifically, the As-Ga-In-Sn can be used in modeling the growth of GaAs, InAs, and InxGa1-xAs nanowires assisted by Sn liquid seeds. In this work, the As-Sn binary, the As-Ga-Sn, As-In-Sn, and Ga-In-Sn ternary systems have been thermodynamically assessed using the CALPHAD method. We show the relevant phase diagrams and property diagrams. They all show good agreement with experimental data. Using our optimized description we have modeled the nucleation of InxGa1-xAs in the zinc blende phase from a Sn-based quaternary liquid alloy using binary nucleation modeling. We have linked the composition of the solid nucleus to the composition of the liquid phase. Eventually, we have predicted the critical size of the nucleus that forms from InAs and GaAs pairs under various conditions. We believe that our modeling can guide future experimental realization of Sn-seeded InxGa1-xAs nanowires.

The phonon theory of liquid thermodynamics

PubMed Central

Bolmatov, D.; Brazhkin, V. V.; Trachenko, K.

2012-01-01

Heat capacity of matter is considered to be its most important property because it holds information about system's degrees of freedom as well as the regime in which the system operates, classical or quantum. Heat capacity is well understood in gases and solids but not in the third main state of matter, liquids, and is not discussed in physics textbooks as a result. The perceived difficulty is that interactions in a liquid are both strong and system-specific, implying that the energy strongly depends on the liquid type and that, therefore, liquid energy can not be calculated in general form. Here, we develop a phonon theory of liquids where this problem is avoided. The theory covers both classical and quantum regimes. We demonstrate good agreement of calculated and experimental heat capacity of 21 liquids, including noble, metallic, molecular and hydrogen-bonded network liquids in a wide range of temperature and pressure. PMID:22639729

Solid-liquid surface tensions of critical nuclei and nucleation barriers from a phase-field-crystal study of a model binary alloy using finite system sizes.

PubMed

Choudhary, Muhammad Ajmal; Kundin, Julia; Emmerich, Heike; Oettel, Martin

2014-08-01

Phase-field-crystal (PFC) modeling has emerged as a computationally efficient tool to address crystal growth phenomena on atomistic length and diffusive time scales. We use a two-dimensional phase-field-crystal model for a binary system based on Elder et al. [Phys. Rev. B 75, 064107 (2007)] to study critical nuclei and their liquid-solid phase boundaries, in particular the nucleus size dependence of the liquid-solid interface tension as well as of the nucleation barrier. Critical nuclei are stabilized in finite systems of various sizes, however, the extracted interface tension as function of the nucleus radius r is independent of system size. We suggest a phenomenological expression to describe the dependence of the extracted interface tension on the nucleus radius r for the liquid-solid system. Moreover, the numerical PFC results show that this dependency can not be fully described by the nonclassical Tolman formula.

The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures.

PubMed

Shulgin, Ivan L; Ruckenstein, Eli

2006-06-29

The present paper is devoted to the local composition of liquid mixtures calculated in the framework of the Kirkwood-Buff theory of solutions. A new method is suggested to calculate the excess (or deficit) number of various molecules around a selected (central) molecule in binary and multicomponent liquid mixtures in terms of measurable macroscopic thermodynamic quantities, such as the derivatives of the chemical potentials with respect to concentrations, the isothermal compressibility, and the partial molar volumes. This method accounts for an inaccessible volume due to the presence of a central molecule and is applied to binary and ternary mixtures. For the ideal binary mixture it is shown that because of the difference in the volumes of the pure components there is an excess (or deficit) number of different molecules around a central molecule. The excess (or deficit) becomes zero when the components of the ideal binary mixture have the same volume. The new method is also applied to methanol + water and 2-propanol + water mixtures. In the case of the 2-propanol + water mixture, the new method, in contrast to the other ones, indicates that clusters dominated by 2-propanol disappear at high alcohol mole fractions, in agreement with experimental observations. Finally, it is shown that the application of the new procedure to the ternary mixture water/protein/cosolvent at infinite dilution of the protein led to almost the same results as the methods involving a reference state.

Electron ionization cross-section calculations for liquid water at high impact energies

NASA Astrophysics Data System (ADS)

Bousis, C.; Emfietzoglou, D.; Hadjidoukas, P.; Nikjoo, H.; Pathak, A.

2008-04-01

Cross-sections for the ionization of liquid water is perhaps the most essential set of data needed for modeling electron transport in biological matter. The complexity of ab initio calculations for any multi-electron target has led to largely heuristic semi-empirical models which take advantage elements of the Bethe, dielectric and binary collision theories. In this work we present various theoretical models for calculating total ionization cross-sections (TICSs) for liquid water over the 10 keV-1 MeV electron energy range. In particular, we extend our recent dielectric model calculations for liquid water to relativistic energies using both the appropriate kinematic corrections and the transverse part. Comparisons are made with widely used atomic and molecular TICS models such as those of Khare and co-workers, Kim-Rudd, Deutsch-Märk, Vriens and Gryzinski. The required dipole oscillator strength was provided by our recent optical-data model which is based on the latest experimental data for liquid water. The TICSs computed by the above models differ by up to 40% from the dielectric results. The best agreement (to within ∼10%) was obtained by Khare's original model and an approximate form of Gryzinski's model. In contrast, the binary-encounter-dipole (BED) models of both Kim-Rudd and Khare and co-workers resulted in ∼10-20% higher TICS values, while discrepancies increased to ∼30-40% when their simpler binary-encounter-Bethe (BEB) versions were used. Finally, we discuss to what extent the accuracy of the TICS is indicative of the reliability of the underlying differential cross-sections.

Refined method for predicting electrochemical windows of ionic liquids and experimental validation studies.

PubMed

Zhang, Yong; Shi, Chaojun; Brennecke, Joan F; Maginn, Edward J

2014-06-12

A combined classical molecular dynamics (MD) and ab initio MD (AIMD) method was developed for the calculation of electrochemical windows (ECWs) of ionic liquids. In the method, the liquid phase of ionic liquid is explicitly sampled using classical MD. The electrochemical window, estimated by the energy difference between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO), is calculated at the density functional theory (DFT) level based on snapshots obtained from classical MD trajectories. The snapshots were relaxed using AIMD and quenched to their local energy minima, which assures that the HOMO/LUMO calculations are based on stable configurations on the same potential energy surface. The new procedure was applied to a group of ionic liquids for which the ECWs were also experimentally measured in a self-consistent manner. It was found that the predicted ECWs not only agree with the experimental trend very well but also the values are quantitatively accurate. The proposed method provides an efficient way to compare ECWs of ionic liquids in the same context, which has been difficult in experiments or simulation due to the fact that ECW values sensitively depend on experimental setup and conditions.

Understanding the vapor-liquid-solid growth and composition of ternary III-V nanowires and nanowire heterostructures

NASA Astrophysics Data System (ADS)

Dubrovskii, V. G.

2017-11-01

Based on the recent achievements in vapor-liquid-solid (VLS) synthesis, characterization and modeling of ternary III-V nanowires and axial heterostructures within such nanowires, we try to understand the major trends in their compositional evolution from a general theoretical perspective. Clearly, the VLS growth of ternary materials is much more complex than in standard vapor-solid epitaxy techniques, and even maintaining the necessary control over the composition of steady-state ternary nanowires is far from straightforward. On the other hand, VLS nanowires offer otherwise unattainable material combinations without introducing structural defects and hence are very promising for next-generation optoelectronic devices, in particular those integrated with a silicon electronic platform. In this review, we consider two main problems. First, we show how and by means of which parameters the steady-state composition of Au-catalyzed or self-catalyzed ternary III-V nanowires can be tuned to a desired value and why it is generally different from the vapor composition. Second, we present some experimental data and modeling results for the interfacial abruptness across axial nanowire heterostructures, both in Au-catalyzed and self-catalyzed VLS growth methods. Refined modeling allows us to formulate some general growth recipes for suppressing the unwanted reservoir effect in the droplet and sharpening the nanowire heterojunctions. We consider and refine two approaches developed to date, namely the regular crystallization model for a liquid alloy with a critical size of only one III-V pair at high supersaturations or classical binary nucleation theory with a macroscopic critical nucleus at modest supersaturations.

Optical analogue of relativistic Dirac solitons in binary waveguide arrays

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

Tran, Truong X., E-mail: truong.tran@mpl.mpg.de; Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen; Longhi, Stefano

2014-01-15

We study analytically and numerically an optical analogue of Dirac solitons in binary waveguide arrays in the presence of Kerr nonlinearity. Pseudo-relativistic soliton solutions of the coupled-mode equations describing dynamics in the array are analytically derived. We demonstrate that with the found soliton solutions, the coupled mode equations can be converted into the nonlinear relativistic 1D Dirac equation. This paves the way for using binary waveguide arrays as a classical simulator of quantum nonlinear effects arising from the Dirac equation, something that is thought to be impossible to achieve in conventional (i.e. linear) quantum field theory. -- Highlights: •An opticalmore » analogue of Dirac solitons in nonlinear binary waveguide arrays is suggested. •Analytical solutions to pseudo-relativistic solitons are presented. •A correspondence of optical coupled-mode equations with the nonlinear relativistic Dirac equation is established.« less

Exploring X-ray Emission from Winds in Two Early B-type Binary Systems

NASA Astrophysics Data System (ADS)

Rotter, John P.; Hole, Tabetha; Ignace, Richard; Oskinova, Lida

2017-01-01

The winds of the most massive (O-type) stars have been well studied, but less is known about the winds of early-type B stars, especially in binaries. Extending O-star wind theory to these smaller stars, we would expect them to emit X-rays, and when in a B-star binary system, the wind collision should emit additional X-rays. This combined X-ray flux from nearby B-star binary systems should be detectable with current telescopes. Yet X-ray observations of two such systems with the Chandra Observatory not only show far less emission than predicted, but also vary significantly from each other despite having very similar observed characteristics. We will present these observations, and our work applying the classic Castor, Abbott, and Klein (CAK) wind theory, combined with more recent analytical wind-shock models, attempting to reproduce this unexpected range of observations.

The Gibbs Energy Basis and Construction of Boiling Point Diagrams in Binary Systems

ERIC Educational Resources Information Center

Smith, Norman O.

2004-01-01

An illustration of how excess Gibbs energies of the components in binary systems can be used to construct boiling point diagrams is given. The underlying causes of the various types of behavior of the systems in terms of intermolecular forces and the method of calculating the coexisting liquid and vapor compositions in boiling point diagrams with…

Predicting glass-to-glass and liquid-to-liquid phase transitions in supercooled water using classical nucleation theory

NASA Astrophysics Data System (ADS)

Tournier, Robert F.

2018-01-01

Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on temperature. The classical nucleation equation of these phases is completed by this quantity existing at all temperatures, a pressure contribution, and an enthalpy excess. This equation leads to two homogeneous nucleation temperatures in each liquid phase; the first one (Tn- below Tm) being the formation temperature of an "ordered" liquid phase and the second one corresponding to the overheating temperature (Tn+ above Tm). Thermodynamic properties, double glass transition temperatures, sharp enthalpy and volume changes are predicted in agreement with experimental results. The first-order transition line at TLL = 0.833 × Tm between fragile and strong liquids joins two critical points. Glass phase above Tg becomes "ordered" liquid phase disappearing at TLL at low pressure and at Tn+ = 1.302 × Tm at high pressure.

Densities, Excess Molar Volumes, Viscosities, and Refractive Indices of Binary Mixtures of n-Butyl Acetate with 1-Chloroalkanes (C4-C8) at 298.15 K

NASA Astrophysics Data System (ADS)

Iloukhani, H.; Khanlarzadeh, K.; Rakhshi, M.

2011-03-01

Densities, viscosities, and refractive indices of binary mixtures of n-butyl acetate (1) +1-chlorobutane (2), +1-chloropentane (2), +1-chlorohexane (2), +1-chloroheptane (2), and +1-chlorooctane (2) were measured at 298.15 K for the liquid region and at ambient pressure for the whole composition range. The excess molar volumes V E were calculated from experimental densities. McAllister's three-body interaction, and Hind and Grunberg-Nissan models are used for correlating the viscosity of binary mixtures. The experimental data of binaries are analyzed to discuss the nature and strength of intermolecular interactions in these mixtures.

Equilibrium-Staged Separations Using Matlab and Mathematica

ERIC Educational Resources Information Center

Binous, Housam

2008-01-01

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

LIQUID-LIQUID EQUILIBRIA FOR BINARY MIXTURES OF WATER + ACETOPHENONE, 1-OCTANOL, ANISOLE, AND TOLUENE FROM 370?550 K. (R828130)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

EFFECTS OF CARBOXYLIC ACIDS ON LIQUID-PHASE ADSORPTION OF ETHANOL AND WATER BY HIGH-SILICA ZSM-5

EPA Science Inventory

Adsorption isotherms were measured for each compound adsorbed on commercially available ZSM-5 (Si/Al = 140) powder from binary and ternary liquid mixtures of ethanol, carboxylic acids, and water at room temperature. The amounts adsorbed were measured using a recently developed t...

Construction of Lines of Constant Density and Constant Refractive Index for Ternary Liquid Mixtures.

ERIC Educational Resources Information Center

Tasic, Aleksandar Z.; Djordjevic, Bojan D.

1983-01-01

Demonstrates construction of density constant and refractive index constant lines in triangular coordinate system on basis of systematic experimental determinations of density and refractive index for both homogeneous (single-phase) ternary liquid mixtures (of known composition) and the corresponding binary compositions. Background information,…

Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique

PubMed Central

Nigl, Thomas P.; Smith, Nathan D.; Lichtenstein, Timothy; Gesualdi, Jarrod; Kumar, Kuldeep; Kim, Hojong

2017-01-01

A novel electrochemical cell based on a CaF2 solid-state electrolyte has been developed to measure the electromotive force (emf) of binary alkaline earth-liquid metal alloys as functions of both composition and temperature in order to acquire thermodynamic data. The cell consists of a chemically stable solid-state CaF2-AF2 electrolyte (where A is the alkaline-earth element such as Ca, Sr, or Ba), with binary A-B alloy (where B is the liquid metal such as Bi or Sb) working electrodes, and a pure A metal reference electrode. Emf data are collected over a temperature range of 723 K to 1,123 K in 25 K increments for multiple alloy compositions per experiment and the results are analyzed to yield activity values, phase transition temperatures, and partial molar entropies/enthalpies for each composition. PMID:29155770

Study of thermodynamic properties of liquid binary alloys by a pseudopotential method

NASA Astrophysics Data System (ADS)

Vora, Aditya M.

2010-11-01

On the basis of the Percus-Yevick hard-sphere model as a reference system and the Gibbs-Bogoliubov inequality, a thermodynamic perturbation method is applied with the use of the well-known model potential. By applying a variational method, the hard-core diameters are found which correspond to a minimum free energy. With this procedure, the thermodynamic properties such as the internal energy, entropy, Helmholtz free energy, entropy of mixing, and heat of mixing are computed for liquid NaK binary systems. The influence of the local-field correction functions of Hartree, Taylor, Ichimaru-Utsumi, Farid-Heine-Engel-Robertson, and Sarkar-Sen-Haldar-Roy is also investigated. The computed excess entropy is in agreement with available experimental data in the case of liquid alloys, whereas the agreement for the heat of mixing is poor. This may be due to the sensitivity of the latter to the potential parameters and dielectric function.

The Dissolution of an Interfween Miscible Liquids

NASA Technical Reports Server (NTRS)

Vlad, D.H.; Maher, J.V.

1999-01-01

The disappearance of the surface tension of the interface of a binary mixture, measured using the dynamic surface light scattering technique, is slower for a binary mixture of higher density contrast. A comparison with a naive diffusion model, expected to provide a lower limit for the speed of dissolution in the absence of gravity shows that the interfacial surface tension disappears much slower than even by diffusion with the effect becoming much more pronounced when density contrast between the liquid phases is increased. Thus, the factor most likely to be responsible for this anomalously slow dissolution is gravity. A mechanism could be based on the competition between diffusive relaxation and sedimentation at the dissolving interface.

Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

USGS Publications Warehouse

Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

2008-01-01

Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

Premelting phenomena in pseudo-binary ionic crystals

NASA Astrophysics Data System (ADS)

Matsunaga, Shigeki

2010-04-01

The theory of the premelting phenomena in ionic crystals on the basis of the concept of the heterophase fluctuation has been applied to the pseudo-binary ionic crystals, KCl-NaCl, AgBr-AgCl and AgBr-CuBr systems. Molecular dynamics simulations (MD) have been performed to examine the ionic configurations in their premelting region in the vicinity of their melting points. Liquid-like clusters have been observed in the results of MD utilizing the Lindemann instability condition. The sizes of liquid-like clusters have been estimated by theory and MD. The characteristics of the dynamical behavior of ions in the premelting region have been examined by the mean square displacement and the velocity correlation functions.

Accurate control of a liquid-crystal display to produce a homogenized Fourier transform for holographic memories.

PubMed

Márquez, Andrés; Gallego, Sergi; Méndez, David; Alvarez, Mariela L; Fernández, Elena; Ortuño, Manuel; Neipp, Cristian; Beléndez, Augusto; Pascual, Inmaculada

2007-09-01

We show an accurate procedure to obtain a Fourier transform (FT) with no dc term using a commercial twisted-nematic liquid-crystal display. We focus on the application to holographic storage of binary data pages, where a drastic decrease of the dc term in the FT is highly desirable. Two different codification schemes are considered: binary pi radians phase modulation and hybrid ternary modulation. Any deviation in the values of the amplitude and phase shift generates the appearance of a strong dc term. Experimental results confirm that the calculated configurations provide a FT with no dc term, thus showing the effectiveness of the proposal.

Scanning tunneling microscopy investigation of copper phthalocyanine and truxenone derivative binary superstructures on graphite.

PubMed

Liu, Jia; Wang, Dong; Wang, Jie-Yu; Pei, Jian; Wan, Li-Jun

2011-02-01

The binary self-assembly of copper phthalocyanine (CuPc) and 2,3,7,8,12,13-hexahexyloxy-truxenone (TrO23) at the solid/liquid interface of highly oriented pyrolytic graphite (HOPG) was investigated by using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). Pseduohexagonal and linear patterned superstructures of CuPc are obtained by co-adsorbing with TrO23. High-resolution STM images reveal the structural details of the arrangement of TrO23 and CuPc in the binary assembly structures. The molecular ratio between CuPc and TrO23 in the adlayer can be modulated by the CuPc concentration in liquid phase. The electronic properties of CuPc and TrO23 in the co-adsorbed self-assembly are investigated by STS. The results presented here are helpful to the design and fabrication of multi-component functional molecular nanostructures. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Mathew, Blesson; Manoj, P.; Bhatt, B. C.

We present results of our study of the PDS 11 binary system, which belongs to a rare class of isolated, high Galactic latitude T Tauri stars. Our spectroscopic analysis reveals that PDS 11 is an M2–M2 binary system with both components showing similar H α emission strengths. Both the components appear to be accreting and are classical T Tauri stars. The lithium doublet Li i  λ 6708, a signature of youth, is present in the spectrum of PDS 11A, but not in PDS 11B. From the application of lithium depletion boundary age-dating method and a comparison with the Li i more » λ 6708 equivalent width distribution of moving groups, we estimated an age of 10–15 Myr for PDS 11A. Comparison with pre-main sequence evolutionary models indicates that PDS 11A is a 0.4 M {sub ⊙} T Tauri star at a distance of 114–131 pc. PDS 11 system does not appear to be associated with any known star-forming regions or moving groups. PDS 11 is a new addition, after TWA 30 and LDS 5606, to the interesting class of old, dusty, wide binary classical T Tauri systems in which both components are actively accreting.« less

Containerless Liquid-Phase Processing of Ceramic Materials

NASA Technical Reports Server (NTRS)

Weber, J. K. Richard (Principal Investigator); Nordine, Paul C.

1996-01-01

The present project builds on the results of research supported under a previous NASA grant to investigate containerless liquid-phase processing of molten ceramic materials. The research used an aero-acoustic levitator in combination with cw CO2 laser beam heating to achieve containerless melting, superheating, undercooling, and solidification of poorly-conducting solids and liquids. Experiments were performed on aluminum oxide, binary aluminum oxide-silicon dioxide materials, and oxide superconductors.

Description of Adsorption in Liquid Chromatography under Nonideal Conditions.

PubMed

Ortner, Franziska; Ruppli, Chantal; Mazzotti, Marco

2018-05-15

A thermodynamically consistent description of binary adsorption in reversed-phase chromatography is presented, accounting for thermodynamic nonidealities in the liquid and adsorbed phases. The investigated system involves the adsorbent Zorbax 300SB-C18, as well as phenetole and 4- tert-butylphenol as solutes and methanol and water as inert components forming the eluent. The description is based on adsorption isotherms, which are a function of the liquid-phase activities, to account for nonidealities in the liquid phase. Liquid-phase activities are calculated with a UNIQUAC model established in this work, based on experimental phase equilibrium data. The binary interaction in the adsorbed phase is described by the adsorbed solution theory, assuming an ideal (ideal adsorbed solution theory) or real (real adsorbed solution theory) adsorbed phase. Implementation of the established adsorption model in a chromatographic code achieves a quantitative description of experimental elution profiles, with feed compositions exploiting the entire miscible region, and involving a broad range of different eluent compositions (methanol/water). The quantitative agreement of the model and experimental data serves as a confirmation of the underlying physical (thermodynamic) concepts and of their applicability to a broad range of operating conditions.

Using Photometric Variability to Detect Binarity in the Central Stars of Four Planetary Nebulae, A 43, A 74, NGC 6720, and NGC 6853

NASA Astrophysics Data System (ADS)

Smith, Alexander; De Marco, O.

2007-12-01

Recent observational evidence and theoretical models are challenging the classical paradigm of single star planetary nebula (PN) evolution, suggesting instead that binary stars play a significant role in the process of PN formation. In order to shape the 90% of PN that are non-spherical, the central star must be rotating and have a magnetic field; the most-likely source of the angular momentum needed to sustain magnetic fields is a binary companion. More observational evidence is needed to confirm that the fraction of PN with close binary central stars is indeed higher than the currently known value of 10-15%. As part of an international effort to detect binary central stars (PLAN-B - Panetary Nebula Binaries), we are carrying out a new photometric survey to look for close binary central stars of PN. Here we present the findings for 4 objects: A 43, A 74, NGC 6720, and NGC 6853. NGC 6720 and NGC 6853 show evidence of periodic variability, the former of which might even show one eclipse. Once completed, the survey will assess the binarity of about 100 central stars of PN.

Investment and operating costs of binary cycle geothermal power plants

NASA Technical Reports Server (NTRS)

Holt, B.; Brugman, J.

1974-01-01

Typical investment and operating costs for geothermal power plants employing binary cycle technology and utilizing the heat energy in liquid-dominated reservoirs are discussed. These costs are developed as a function of reservoir temperature. The factors involved in optimizing plant design are discussed. A relationship between the value of electrical energy and the value of the heat energy in the reservoir is suggested.

EVERY INTERACTING DOUBLE WHITE DWARF BINARY MAY MERGE

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

Shen, Ken J.

2015-05-20

Interacting double white dwarf (WD) binaries can give rise to a wide variety of astrophysical outcomes ranging from faint thermonuclear and Type Ia supernovae to the formation of neutron stars and stably accreting AM Canum Venaticorum systems. One key factor affecting the final outcome is whether mass transfer remains dynamically stable or instead diverges, leading to the tidal disruption of the donor and the merger of the binary. It is typically thought that for low ratios of the donor mass to the accretor mass, mass transfer remains stable, especially if accretion occurs via a disk. In this Letter, we examinemore » low mass ratio double WD binaries and find that the initial phase of hydrogen-rich mass transfer leads to a classical nova-like outburst on the accretor. Dynamical friction within the expanding nova shell shrinks the orbit and causes the mass transfer rate to increase dramatically above the accretor's Eddington limit, possibly resulting in a binary merger. If the binary survives the first hydrogen-rich nova outbursts, dynamical friction within the subsequent helium-powered nova shells pushes the system even more strongly toward merger. While further calculations are necessary to confirm this outcome for the entire range of binaries previously thought to be dynamically stable, it appears likely that most, if not all, interacting double WD binaries will merge during the course of their evolution.« less

Equilibrium, stability, and orbital evolution of close binary systems

NASA Technical Reports Server (NTRS)

Lai, Dong; Rasio, Frederic A.; Shapiro, Stuart L.

1994-01-01

We present a new analytic study of the equilibrium and stability properties of close binary systems containing polytropic components. Our method is based on the use of ellipsoidal trial functions in an energy variational principle. We consider both synchronized and nonsynchronized systems, constructing the compressible generalizations of the classical Darwin and Darwin-Riemann configurations. Our method can be applied to a wide variety of binary models where the stellar masses, radii, spins, entropies, and polytropic indices are all allowed to vary over wide ranges and independently for each component. We find that both secular and dynamical instabilities can develop before a Roche limit or contact is reached along a sequence of models with decreasing binary separation. High incompressibility always makes a given binary system more susceptible to these instabilities, but the dependence on the mass ratio is more complicated. As simple applications, we construct models of double degenerate systems and of low-mass main-sequence star binaries. We also discuss the orbital evoltuion of close binary systems under the combined influence of fluid viscosity and secular angular momentum losses from processes like gravitational radiation. We show that the existence of global fluid instabilities can have a profound effect on the terminal evolution of coalescing binaries. The validity of our analytic solutions is examined by means of detailed comparisons with the results of recent numerical fluid calculations in three dimensions.

Modified Atkins diet vs classic ketogenic formula in intractable epilepsy.

PubMed

El-Rashidy, O F; Nassar, M F; Abdel-Hamid, I A; Shatla, R H; Abdel-Hamid, M H; Gabr, S S; Mohamed, S G; El-Sayed, W S; Shaaban, S Y

2013-12-01

The study was designed to evaluate the efficacy, safety, and tolerability of the ketogenic diet (KD) whether classic 4:1 formula or the modified Atkins diet (MAD) in intractable childhood epilepsy. Anthropometric measurements and serum lipid profile were measured upon enrollment and after 3 and 6 months in 40 patients with symptomatic intractable epilepsy. Fifteen were given MAD diet, ten were kept on classic 4:1 ketogenic liquid formula, and the rest were allowed to eat as desired. The liquid ketogenic formula group showed significantly higher body mass index compared with those who did not receive KD after 6 months. The lipid profile of KD patients was within normal limits for age and sex during the study period. The rate of change of frequency and severity of seizures showed best improvement in ketogenic liquid formula patients followed by the MAD group than the patients on anti-epileptic medications alone. The KD whether classic 4:1 or MAD is a tolerable, safe, and effective adjuvant therapy for intractable symptomatic childhood epilepsy with limited adverse effects on the growth parameters and accepted changes in the lipid profile. The liquid ketogenic formula patients showed better growth pattern and significantly more seizure control. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Design criteria for extraction with chemical reaction and liquid membrane permeation

NASA Technical Reports Server (NTRS)

Bart, H. J.; Bauer, A.; Lorbach, D.; Marr, R.

1988-01-01

The design criteria for heterogeneous chemical reactions in liquid/liquid systems formally correspond to those of classical physical extraction. More complex models are presented which describe the material exchange at the individual droplets in an extraction with chemical reaction and in liquid membrane permeation.

Transverse optic-like modes in binary liquids

NASA Astrophysics Data System (ADS)

Bryk, Taras; Mryglod, Ihor

1999-10-01

Generalized collective mode approach and MD simulations are applied for the study of transverse dynamics in a LJ fluid KrAr and a liquid alloy Mg 70Zn 30. The optic-like excitations, caused by the mass-concentration fluctuations, are found in both mixtures considered. Mode contributions into the total spectral function are investigated.

Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion

ERIC Educational Resources Information Center

Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio

2010-01-01

Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based…

Preparation of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using a coupling method of liquid plasma and electrochemical machining

NASA Astrophysics Data System (ADS)

Meng, Jianbing; Dong, Xiaojuan; Wei, Xiuting; Yin, Zhanmin

2014-03-01

Hard anti-adhesion surfaces, with low roughness and wear resistance, on aluminium substrates of rubber plastic moulds were fabricated via a new coupling method of liquid plasma and electrochemical machining. With the aid of liquid plasma thermal polishing and electrochemical anodic dissolution, micro/nano-scale binary structures were prepared as the base of the anti-adhesion surfaces. The anti-adhesion behaviours of the resulting aluminium surfaces were analysed by a surface roughness measuring instrument, a scanning electron microscope (SEM), a Fourier-transform infrared spectrophotometer (FTIR), an X-ray diffractometer (XRD), an optical contact angle meter, a digital Vickers micro-hardness (Hv) tester, and electronic universal testing. The results show that, after the liquid plasma and electrochemical machining, micro/nano-scale binary structures composed of micro-scale pits and nano-scale elongated boss structures were present on the sample surfaces. As a result, the anti-adhesion surfaces fabricated by the above coupling method have good anti-adhesion properties, better wear resistance and lower roughness.

Preparation of anti-adhesion surfaces on aluminium substrates of rubber plastic moulds using a coupling method of liquid plasma and electrochemical machining

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

Meng, Jianbing, E-mail: jianbingmeng@126.com; Dong, Xiaojuan; Wei, Xiuting

Hard anti-adhesion surfaces, with low roughness and wear resistance, on aluminium substrates of rubber plastic moulds were fabricated via a new coupling method of liquid plasma and electrochemical machining. With the aid of liquid plasma thermal polishing and electrochemical anodic dissolution, micro/nano-scale binary structures were prepared as the base of the anti-adhesion surfaces. The anti-adhesion behaviours of the resulting aluminium surfaces were analysed by a surface roughness measuring instrument, a scanning electron microscope (SEM), a Fourier-transform infrared spectrophotometer (FTIR), an X-ray diffractometer (XRD), an optical contact angle meter, a digital Vickers micro-hardness (Hv) tester, and electronic universal testing. The resultsmore » show that, after the liquid plasma and electrochemical machining, micro/nano-scale binary structures composed of micro-scale pits and nano-scale elongated boss structures were present on the sample surfaces. As a result, the anti-adhesion surfaces fabricated by the above coupling method have good anti-adhesion properties, better wear resistance and lower roughness.« less

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

Zhang, Fei; He, Yadong; Huang, Jingsong

Porous liquids are a promising new class of materials featuring nanoscale cavity units dispersed in liquids that are suitable for applications such as gas storage and separation. In this work, we use molecular dynamics simulations to examine the multicomponent gas storage in a porous liquid consisting of crown-ether-substituted cage molecules dissolved in a 15-crown-5 solvent. We compute the storage of three prototypical small molecules including CO 2, CH 4, and N 2 and their binary mixtures in individual cage molecules. For porous liquids in equilibrium with a binary 1:1 gas mixture bath with partial gas pressure of 27.5 bar, amore » cage molecule shows a selectivity of 4.3 and 13.1 for the CO 2/CH 4 and CO 2/N 2 pairs, respectively. We provide a molecular perspective of how gas molecules are stored in the cage molecule and how the storage of one type of gas molecule is affected by other types of gas molecules. Finally, our results clarify the molecular mechanisms behind the selectivity of such cage molecules toward different gases.« less

Multicomponent Gas Storage in Organic Cage Molecules

DOE PAGES

Zhang, Fei; He, Yadong; Huang, Jingsong; ...

2017-05-18

Porous liquids are a promising new class of materials featuring nanoscale cavity units dispersed in liquids that are suitable for applications such as gas storage and separation. In this work, we use molecular dynamics simulations to examine the multicomponent gas storage in a porous liquid consisting of crown-ether-substituted cage molecules dissolved in a 15-crown-5 solvent. We compute the storage of three prototypical small molecules including CO 2, CH 4, and N 2 and their binary mixtures in individual cage molecules. For porous liquids in equilibrium with a binary 1:1 gas mixture bath with partial gas pressure of 27.5 bar, amore » cage molecule shows a selectivity of 4.3 and 13.1 for the CO 2/CH 4 and CO 2/N 2 pairs, respectively. We provide a molecular perspective of how gas molecules are stored in the cage molecule and how the storage of one type of gas molecule is affected by other types of gas molecules. Finally, our results clarify the molecular mechanisms behind the selectivity of such cage molecules toward different gases.« less

The classical nova hibernation scenario: a definitive confirmation

NASA Astrophysics Data System (ADS)

Gaensicke, Boris

2017-08-01

The detached white dwarf plus M-dwarf binary LL Eri exhibits truly unique behaviour within this class of compact binaries. As part of a COS snapshot survey, we detected large-amplitude variability in the ultraviolet flux of the white dwarf, confirmed by extensive ground-based blue-band photometry. The three independent frequencies detected in the light curves clearly identify this variability as non-radial pulsations of the white dwarf. However, with a hydrogen atmosphere and Teff=17200K, this white dwarf is nearly 5000K hotter than the canonical instability strip.The COS spectrum, albeit noisy, reveals that the metal lines typically detected in this class of stars, arising from material captured from the M-dwarf wind, are very broad. If interpreted as rotationally broadened, they imply a spin of only a few minutes. Such a short period could be explained by a past phase of intense accretion of mass and angular momentum. It has been postulated for over thirty years that classical nova eruptions on the white dwarf could cause such switching from a semi-detached to a detached binary configuration, during which the system hibernates - yet, to date no hibernating nova has been identified. However, the broad lines could also be due to pulsation-driven surface velocity fields, in which case the nature and past evolution of LL Eri would not be easily linked to any exisiting scenario for compact binary evolution. We propose to obtain a deeper COS observations to unambiguosly determine whether the cause of the observed line broadening is due to rapid rotation, which would unequivocally confirm the hibernation scenario.

A simple explanation of the classic hydrostatic paradox

NASA Astrophysics Data System (ADS)

Kontomaris, Stylianos-Vasileios; Malamou, Anna

2016-07-01

An interesting problem in fluid mechanics, with significant educational importance, is the classic hydrostatic paradox. The hydrostatic paradox states the fact that in different shaped containers, with the same base area, which are filled with a liquid of the same height, the applied force by the liquid on the base of each container is exactly the same. However, if the shape of the container is different, the amount of the liquid (and as a consequence the weight) can greatly vary. In this paper, a simple explanation of the hydrostatic paradox, specifically designed and implemented for educational purposes regarding secondary education, is provided.

Do classic blood biomarkers of JSLE identify active lupus nephritis? Evidence from the UK JSLE Cohort Study.

PubMed

Smith, E M D; Jorgensen, A L; Beresford, M W

2017-10-01

Background Lupus nephritis (LN) affects up to 80% of juvenile-onset systemic lupus erythematosus (JSLE) patients. The value of commonly available biomarkers, such as anti-dsDNA antibodies, complement (C3/C4), ESR and full blood count parameters in the identification of active LN remains uncertain. Methods Participants from the UK JSLE Cohort Study, aged <16 years at diagnosis, were categorized as having active or inactive LN according to the renal domain of the British Isles Lupus Assessment Group score. Classic biomarkers: anti-dsDNA, C3, C4, ESR, CRP, haemoglobin, total white cells, neutrophils, lymphocytes, platelets and immunoglobulins were assessed for their ability to identify active LN using binary logistic regression modeling, with stepAIC function applied to select a final model. Receiver-operating curve analysis was used to assess diagnostic accuracy. Results A total of 370 patients were recruited; 191 (52%) had active LN and 179 (48%) had inactive LN. Binary logistic regression modeling demonstrated a combination of ESR, C3, white cell count, neutrophils, lymphocytes and IgG to be best for the identification of active LN (area under the curve 0.724). Conclusions At best, combining common classic blood biomarkers of lupus activity using multivariate analysis provides a 'fair' ability to identify active LN. Urine biomarkers were not included in these analyses. These results add to the concern that classic blood biomarkers are limited in monitoring discrete JSLE manifestations such as LN.

Noise management to achieve superiority in quantum information systems

NASA Astrophysics Data System (ADS)

Nemoto, Kae; Devitt, Simon; Munro, William J.

2017-06-01

Quantum information systems are expected to exhibit superiority compared with their classical counterparts. This superiority arises from the quantum coherences present in these quantum systems, which are obviously absent in classical ones. To exploit such quantum coherences, it is essential to control the phase information in the quantum state. The phase is analogue in nature, rather than binary. This makes quantum information technology fundamentally different from our classical digital information technology. In this paper, we analyse error sources and illustrate how these errors must be managed for the system to achieve the required fidelity and a quantum superiority. This article is part of the themed issue 'Quantum technology for the 21st century'.

Noise management to achieve superiority in quantum information systems.

PubMed

Nemoto, Kae; Devitt, Simon; Munro, William J

2017-08-06

Quantum information systems are expected to exhibit superiority compared with their classical counterparts. This superiority arises from the quantum coherences present in these quantum systems, which are obviously absent in classical ones. To exploit such quantum coherences, it is essential to control the phase information in the quantum state. The phase is analogue in nature, rather than binary. This makes quantum information technology fundamentally different from our classical digital information technology. In this paper, we analyse error sources and illustrate how these errors must be managed for the system to achieve the required fidelity and a quantum superiority.This article is part of the themed issue 'Quantum technology for the 21st century'. © 2017 The Author(s).

Effects of g-Jitter on Diffusion in Binary Liquids

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.

1999-01-01

The microgravity environment offers the potential to measure the binary diffusion coefficients in liquids without the masking effects introduced by buoyancy-induced flows due to Earth s gravity. However, the background g-jitter (vibrations from the shuttle, onboard machinery, and crew) normally encountered in many shuttle experiments may alter the benefits of the microgravity environment and introduce vibrations that could offset its intrinsic advantages. An experiment during STS-85 (August 1997) used the Microgravity Vibration Isolation Mount (MIM) to isolate and introduce controlled vibrations to two miscible liquids inside a cavity to study the effects of g-jitter on liquid diffusion. Diffusion in a nonhomogeneous liquid system is caused by a nonequilibrium condition that results in the transport of mass (dispersion of the different kinds of liquid molecules) to approach equilibrium. The dynamic state of the system tends toward equilibrium such that the system becomes homogeneous. An everyday example is the mixing of cream and coffee (a nonhomogeneous system) via stirring. The cream diffuses into the coffee, thus forming a homogeneous system. At equilibrium the system is said to be mixed. However, during stirring, simple observations show complex flow field dynamics-stretching and folding of material interfaces, thinning of striation thickness, self-similar patterns, and so on. This example illustrates that, even though mixing occurs via mass diffusion, stirring to enhance transport plays a major role. Stirring can be induced either by mechanical means (spoon or plastic stirrer) or via buoyancy-induced forces caused by Earth s gravity. Accurate measurements of binary diffusion coefficients are often inhibited by buoyancy-induced flows. The microgravity environment minimizes the effect of buoyancy-induced flows and allows the true diffusion limit to be achieved. One goal of this experiment was to show that the microgravity environment suppresses buoyancy-induced convection, thereby mass diffusion becomes the dominant mechanism for transport. Since g-jitter transmitted by the shuttle to the experiment can potentially excite buoyancy-induced flows, we also studied the effects of controlled vibrations on the system.

IRAS observations of binaries with compact objects

NASA Technical Reports Server (NTRS)

Schaefer, B. E.

1986-01-01

The infrared emission data, obtained on 260 binary systems by the all-sky IRAS survey in wavelengths between 12 and 100 microns, are reported. Of all the 260 sources, which contained compact objects including white dwarfs, neutron stars, or possibly black holes, only 32 contained detectable IR radiation. The X-ray emitting Be-type stars (gamma-Cas and X Per) were found to have their energy flux proportional to frequency in the range of the log nu values of 12.7-14.7. However, the GS304-1 flux distribution is unique, in that its flux rises by several orders of magnitude as the wavelength changes from 4000 A to 60 microns. A static dust cloud was detected, with a radius of about 1 AU, which has formed around the classical nova RR Pic since its 1925 eruption. The post-eruption far-IR light curve of a classical nova provides strong evidence for IR emissions from both dust grains formed during the eruption and dust grains existing from previous eruptions.

Vapor-liquid equilibria for the systems composed of 1-chloro-1,1-difluoroethane, 1,1-dichloro-1-fluoroethane, and 1,1,1-trichloroethane at 50.1 C

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

Kang, Y.W.; Lee, Y.Y.

1996-03-01

Isothermal vapor-liquid equilibria for the three binary systems 1-chloro-1,1-difluoroethane + 1,1-dichloro-1-fluoroethane, 1-chloro-1,1-difluoroethane + 1,1,1-trichloroethane, and 1,1-dichloro-1-fluoroethane + 1,1,1-trichloroethane and the ternary system 1-chloro-1,1-difluoromethane + 1,1-dichloro-1-fluoroethane + 1,1,1-trichloroethane have been measured at 50.1 C. The experimental data for the binary systems are correlated with the Peng-Robinson equation of state, and the relevant parameters are presented. The predicted results for the ternary system were found to be in good agreement with the experimental data.

Quantum-enhanced reinforcement learning for finite-episode games with discrete state spaces

NASA Astrophysics Data System (ADS)

Neukart, Florian; Von Dollen, David; Seidel, Christian; Compostella, Gabriele

2017-12-01

Quantum annealing algorithms belong to the class of metaheuristic tools, applicable for solving binary optimization problems. Hardware implementations of quantum annealing, such as the quantum annealing machines produced by D-Wave Systems, have been subject to multiple analyses in research, with the aim of characterizing the technology's usefulness for optimization and sampling tasks. Here, we present a way to partially embed both Monte Carlo policy iteration for finding an optimal policy on random observations, as well as how to embed n sub-optimal state-value functions for approximating an improved state-value function given a policy for finite horizon games with discrete state spaces on a D-Wave 2000Q quantum processing unit (QPU). We explain how both problems can be expressed as a quadratic unconstrained binary optimization (QUBO) problem, and show that quantum-enhanced Monte Carlo policy evaluation allows for finding equivalent or better state-value functions for a given policy with the same number episodes compared to a purely classical Monte Carlo algorithm. Additionally, we describe a quantum-classical policy learning algorithm. Our first and foremost aim is to explain how to represent and solve parts of these problems with the help of the QPU, and not to prove supremacy over every existing classical policy evaluation algorithm.

The Swift Supergiant Fast X-ray Transient Project

NASA Astrophysics Data System (ADS)

Romano, P.; Barthelmy, S.; Bozzo, E.; Burrows, D.; Ducci, L.; Esposito, P.; Evans, P.; Kennea, J.; Krimm, H.; Vercellone, S.

2017-10-01

We present the Swift Supergiant Fast X-ray Transients project, a systematic study of SFXTs and classical supergiant X-ray binaries (SGXBs) through efficient long-term monitoring of 17 sources including SFXTs and classical SGXBs across more than 4 orders of magnitude in X-ray luminosity on timescales from hundred seconds to years. We derived dynamic ranges, duty cycles, and luminosity distributions to highlight systematic differences that help discriminate between different theoretical models proposed to explain the differences between the wind accretion processes in SFXTs and classical SGXBs. Our follow-ups of the SFXT outbursts provide a steady advancement in the comprehension of the mechanisms triggering the high X-ray level emission of these sources. In particular, the observations of the outburst of the SFXT prototype IGR J17544-2619, when the source reached a peak X-ray luminosity of 3×10^{38} erg s^{-1}, challenged for the first time the maximum theoretical luminosity achievable by a wind-fed neutron star high mass X-ray binary. We propose that this giant outburst was due to the formation of a transient accretion disc around the compact object. We also created a catalogue of over 1000 BAT flares which we use to predict the observability and perspectives with future missions.

BINARY CORRELATIONS IN IONIZED GASES

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

Balescu, R.; Taylor, H.S.

1961-01-01

An equation of evolution for the binary distribution function in a classical homogeneous, nonequilibrium plasma was derived. It is shown that the asymptotic (long-time) solution of this equation is the Debye distribution, thus providing a rigorous dynamical derivation of the equilibrium distribution. This proof is free from the fundamental conceptual difficulties of conventional equilibrium derivations. Out of equilibrium, a closed formula was obtained for the long living correlations, in terms of the momentum distribution function. These results should form an appropriate starting point for a rigorous theory of transport phenomena in plasmas, including the effect of molecular correlations. (auth)

Liquid-Vapor Equilibrium of Multicomponent Cryogenic Systems

NASA Technical Reports Server (NTRS)

Thompson, W. Reid; Calado, Jorge C. G.; Zollweg, John A.

1990-01-01

Liquid-vapor and solid-vapor equilibria at low to moderate pressures and low temperatures are important in many solar system environments, including the surface and clouds of Titan, the clouds of Uranus and Neptune, and the surfaces of Mars and Triton. The familiar cases of ideal behavior are limiting cases of a general thermodynamic representation for the vapor pressure of each component in a homogeneous multicomponent system. The fundamental connections of laboratory measurements to thermodynamic models are through the Gibbs-Duhem relation and the Gibbs-Helmholtz relation. Using laboratory measurements of the total pressure, temperature, and compositions of the liquid and vapor phases at equilibrium, the values of these parameters can be determined. The resulting model for vapor-liquid equilibrium can then conveniently and accurately be used to calculate pressures, compositions, condensation altitudes, and their dependencies on changing climatic conditions. A specific system being investigated is CH4-C2H6-N2, at conditions relevant to Titan's surface and atmosphere. Discussed are: the modeling of existing data on CH4-N2, with applications to the composition of Titan's condensate clouds; some new measurements on the CH4-C2H6 binary, using a high-precision static/volumetric system, and on the C2H6-N2 binary, using the volumetric system and a sensitive cryogenic flow calorimeter; and describe a new cryogenic phase-equilibrium vessel with which we are beginning a detailed, systematic study of the three constituent binaries and the ternary CH4-C2H6-N2 system at temperatures ranging from 80 to 105 K and pressures from 0.1 to 7 bar.

Clostridial binary toxins: iota and C2 family portraits.

PubMed

Stiles, Bradley G; Wigelsworth, Darran J; Popoff, Michel R; Barth, Holger

2011-01-01

There are many pathogenic Clostridium species with diverse virulence factors that include protein toxins. Some of these bacteria, such as C. botulinum, C. difficile, C. perfringens, and C. spiroforme, cause enteric problems in animals as well as humans. These often fatal diseases can partly be attributed to binary protein toxins that follow a classic AB paradigm. Within a targeted cell, all clostridial binary toxins destroy filamentous actin via mono-ADP-ribosylation of globular actin by the A component. However, much less is known about B component binding to cell-surface receptors. These toxins share sequence homology amongst themselves and with those produced by another Gram-positive, spore-forming bacterium also commonly associated with soil and disease: Bacillus anthracis. This review focuses upon the iota and C2 families of clostridial binary toxins and includes: (1) basics of the bacterial source; (2) toxin biochemistry; (3) sophisticated cellular uptake machinery; and (4) host-cell responses following toxin-mediated disruption of the cytoskeleton. In summary, these protein toxins aid diverse enteric species within the genus Clostridium.

Applications of the Peng-Robinson Equation of State Using MATLAB[R

ERIC Educational Resources Information Center

Nasri, Zakia; Binous, Housam

2009-01-01

A single equation of state (EOS) such as the Peng-Robinson (PR) EOS can accurately describe both the liquid and vapor phase. We present several applications of this equation of state, including estimation of pure component properties and computation of the vapor-liquid equilibrium (VLE) diagram for binary mixtures. We perform high-pressure…

Some conservative estimates in quantum cryptography

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

Molotkov, S. N.

2006-08-15

Relationship is established between the security of the BB84 quantum key distribution protocol and the forward and converse coding theorems for quantum communication channels. The upper bound Q{sub c} {approx} 11% on the bit error rate compatible with secure key distribution is determined by solving the transcendental equation H(Q{sub c})=C-bar({rho})/2, where {rho} is the density matrix of the input ensemble, C-bar({rho}) is the classical capacity of a noiseless quantum channel, and H(Q) is the capacity of a classical binary symmetric channel with error rate Q.

A Classical Phase Space Framework For the Description of Supercooled Liquids and an Apparent Universal Viscosity Collapse

NASA Astrophysics Data System (ADS)

Weingartner, Nicholas; Pueblo, Chris; Nogueira, Flavio; Kelton, Kenneth; Nussinov, Zohar

A fundamental understanding of the phenomenology of the metastable supercooled liquid state remains elusive. Two of the most pressing questions in this field are how to describe the temperature dependence of the viscosity, and determine whether or not the dynamical behaviors are universal. To address these questions, we have devised a simple first-principles classical phase space description of supercooled liquids that (along with a complementary quantum approach) predicts a unique functional form for the viscosity which relies on only a single parameter. We tested this form for 45 liquids of all types and fragilities, and have demonstrated that it provides a statistically significant fit to all liquids. Additionally, by scaling the viscosity of all studied liquids using the single parameter, we have observed a complete collapse of the data of all 45 liquids to a single scaling curve over 16 decades, suggesting an underlying universality in the dynamics of supercooled liquids. In this talk I will outline the basic approach of our model, as well as demonstrate the quality of the model performance and collapse of the data.

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

Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es; Moreno-Ventas Bravo, A. I.

We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components ofmore » the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules at the interface, a direct consequence of a combination of the weak dispersive interactions between unlike species of the symmetrical binary mixture, and the presence of an interfacial region separating the two immiscible liquid phases in coexistence.« less

Efficient capture of SO2 by a binary mixture of caprolactam tetrabutyl ammonium bromide ionic liquid and water.

PubMed

Duan, Erhong; Guo, Bin; Zhang, Miaomiao; Guan, Yanan; Sun, Hua; Han, Jing

2011-10-30

The solubility of SO(2) in a binary mixture of water and caprolactam tetrabutyl ammonium bromide ionic liquid (CPL-TBAB IL) was investigated. Though the ionic liquid and water were fully miscible, a phase separation occurred when SO(2) was introduced into the mixture. The SO(2) concentrated in the lower layer, and it could be released by heating the solution under reduced pressure (382.2K, 10.1 kPa). After desorption, the mixture could be reused to absorb SO(2). It was found that SO(2) acts as a switch to cause the water and CPL-TBAB IL to phase separate, and the mechanics of this phase separation process was studied by gas chromatography-mass spectrometry, fourier transform-infrared spectroscopy and Karl-Fisher titration. The absorption and desorption of SO(2) in the CPL-TBAB/water mixtures were reversible. Copyright © 2011 Elsevier B.V. All rights reserved.

High-throughput investigation of single and binary protein adsorption isotherms in anion exchange chromatography employing multivariate analysis.

PubMed

Field, Nicholas; Konstantinidis, Spyridon; Velayudhan, Ajoy

2017-08-11

The combination of multi-well plates and automated liquid handling is well suited to the rapid measurement of the adsorption isotherms of proteins. Here, single and binary adsorption isotherms are reported for BSA, ovalbumin and conalbumin on a strong anion exchanger over a range of pH and salt levels. The impact of the main experimental factors at play on the accuracy and precision of the adsorbed protein concentrations is quantified theoretically and experimentally. In addition to the standard measurement of liquid concentrations before and after adsorption, the amounts eluted from the wells are measured directly. This additional measurement corroborates the calculation based on liquid concentration data, and improves precision especially under conditions of weak or moderate interaction strength. The traditional measurement of multicomponent isotherms is limited by the speed of HPLC analysis; this analytical bottleneck is alleviated by careful multivariate analysis of UV spectra. Copyright © 2017. Published by Elsevier B.V.

Modeling of a complex, polar system with a modified Soave-Redlich-Kwong equation

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

Sturnfield, E.A.; Matherne, J.L.

1988-01-01

It is computationally feasible to use a simple equation of state (like a Redlich-Kwong) to calculate liquid fugacity but the simpler equations work well only for moderately non-ideal systems. More complex equations (like Ghemling-Lui-Prausnitz) predict system behavior more accurately but are much more complicated to use and can require fitting many parameters to data. This paper illustrates success in using a modified Redlich-Kwong to model a complex system including water, hydrogen, sub and supercritical ammonia, and amines. The binary interaction parameter ({Kappa}/sub ij/) of the Soave-Redlich-Kwong equation has been modified to be both asymmetric and temperature dependent. Further, the aimore » constant was determined by fitting vapor pressure data. Predicted model results are compared to literature (example 1) or plant data (examples 2-4) for four systems: 1. The ammonia-water binary over a wide range of pressure and temperature including ammonia above its critical. 2. A multicomponent Vapor-Liquid equilibrium flash tank and condenser containg hydrogen, amonia, water, and other heavier compounds. 3. A multicomponent vapor-liquid equilibrium flash tank containing water, heavier mines, and the amine salts. 4. A Liquid-Liquid-Vapor equilibrium decanter system containing water, ammonia, and an organic chloride.« less

A diagrammatic formulation of the kinetic theory of fluctuations in equilibrium classical fluids. VI. Binary collision approximations for the memory function for self-correlation functions

NASA Astrophysics Data System (ADS)

Noah-Vanhoucke, Joyce E.; Andersen, Hans C.

2007-08-01

We use computer simulation results for a dense Lennard-Jones fluid for a range of temperatures to test the accuracy of various binary collision approximations for the memory function for density fluctuations in liquids. The approximations tested include the moderate density approximation of the generalized Boltzmann-Enskog memory function (MGBE) of Mazenko and Yip [Statistical Mechanics. Part B. Time-Dependent Processes, edited by B. J. Berne (Plenum, New York, 1977)], the binary collision approximation (BCA) and the short time approximation (STA) of Ranganathan and Andersen [J. Chem. Phys. 121, 1243 (2004); J. Phys. Chem. 109, 21437 (2005)] and various other approximations we derived by using diagrammatic methods. The tests are of two types. The first is a comparison of the correlation functions predicted by each approximate memory function with the simulation results, especially for the self-longitudinal current correlation (SLCC) function. The second is a direct comparison of each approximate memory function with a memory function numerically extracted from the correlation function data. The MGBE memory function is accurate at short times but decays to zero too slowly and gives a poor description of the correlation function at intermediate times. The BCA is exact at zero time, but it predicts a correlation function that diverges at long times. The STA gives a reasonable description of the SLCC but does not predict the correct temperature dependence of the negative dip in the function that is associated with caging at low temperatures. None of the other binary collision approximations is a systematic improvement on the STA. The extracted memory functions have a rapidly decaying short time part, much like the STA, and a much smaller, more slowly decaying part of the type predicted by a mode coupling theory. Theories that use mode coupling commonly include a binary collision term in the memory function but do not discuss in detail the nature of that term. It is clear from the present work that the short time part of the memory function has a behavior associated with brief binary repulsive collisions, such as those described by the STA. Collisions that include attractive as well as repulsive interactions, such as those of the MGBE, have a much longer duration, and theories that include them have memory functions that decay to zero much too slowly to provide a good first approximation of the correlation function. This leads us to speculate that the memory function for density fluctuations can be usefully regarded as a sum of at least three parts: a contribution from repulsive binary collisions (the STA or something similar to it), another short time part that is related to all the other interactions (but whose nature is not understood), and a longer time slowly decaying part that describes caging (of the type predicted by the mode coupling theory).

Viscosity of nonelectrolyte liquid mixtures. III Binary mixtures of methyl methacrylate with hydrocarbons, haloalkanes, and alkylamines

NASA Astrophysics Data System (ADS)

Oswal, S. L.; Patel, B. M.; Shah, H. R.; Oswal, P.

1994-07-01

Measurements of the viscosity η and the density ϱ are reported for 14 binary mixtures of methyl methacrylate (MMA) with hydrocarbons, haloalkanes, and alkylamines at 303.15 K. The viscosity data have been correlated with equations of Grunberg and Nissan, of McAllister, and of Auslaender. Furthermore, excess viscosity Δ In η and excess Gibbs energy of activation ΔG* E of viscous flow have been calculated and have been used to predict molecular interactions occurring in present binary mixtures. The results show the existence of specific interactions in MMA + aromatic hydrocarbons, MMA + haloalkanes, and MMA + primary amines.

Scale effect of slip boundary condition at solid–liquid interface

PubMed Central

Nagayama, Gyoko; Matsumoto, Takenori; Fukushima, Kohei; Tsuruta, Takaharu

2017-01-01

Rapid advances in microelectromechanical systems have stimulated the development of compact devices, which require effective cooling technologies (e.g., microchannel cooling). However, the inconsistencies between experimental and classical theoretical predictions for the liquid flow in microchannel remain unclarified. Given the larger surface/volume ratio of microchannel, the surface effects increase as channel scale decreases. Here we show the scale effect of the boundary condition at the solid–liquid interface on single-phase convective heat transfer characteristics in microchannels. We demonstrate that the deviation from classical theory with a reduction in hydraulic diameters is due to the breakdown of the continuum solid–liquid boundary condition. The forced convective heat transfer characteristics of single-phase laminar flow in a parallel-plate microchannel are investigated. Using the theoretical Poiseuille and Nusselt numbers derived under the slip boundary condition at the solid–liquid interface, we estimate the slip length and thermal slip length at the interface. PMID:28256536

STABLE CONIC-HELICAL ORBITS OF PLANETS AROUND BINARY STARS: ANALYTICAL RESULTS

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

Oks, E.

2015-05-10

Studies of planets in binary star systems are especially important because it was estimated that about half of binary stars are capable of supporting habitable terrestrial planets within stable orbital ranges. One-planet binary star systems (OBSS) have a limited analogy to objects studied in atomic/molecular physics: one-electron Rydberg quasimolecules (ORQ). Specifically, ORQ, consisting of two fully stripped ions of the nuclear charges Z and Z′ plus one highly excited electron, are encountered in various plasmas containing more than one kind of ion. Classical analytical studies of ORQ resulted in the discovery of classical stable electronic orbits with the shape ofmore » a helix on the surface of a cone. In the present paper we show that despite several important distinctions between OBSS and ORQ, it is possible for OBSS to have stable planetary orbits in the shape of a helix on a conical surface, whose axis of symmetry coincides with the interstellar axis; the stability is not affected by the rotation of the stars. Further, we demonstrate that the eccentricity of the stars’ orbits does not affect the stability of the helical planetary motion if the center of symmetry of the helix is relatively close to the star of the larger mass. We also show that if the center of symmetry of the conic-helical planetary orbit is relatively close to the star of the smaller mass, a sufficiently large eccentricity of stars’ orbits can switch the planetary motion to the unstable mode and the planet would escape the system. We demonstrate that such planets are transitable for the overwhelming majority of inclinations of plane of the stars’ orbits (i.e., the projections of the planet and the adjacent start on the plane of the sky coincide once in a while). This means that conic-helical planetary orbits at binary stars can be detected photometrically. We consider, as an example, Kepler-16 binary stars to provide illustrative numerical data on the possible parameters and the stability of the conic-helical planetary orbits, as well as on the transitability. Then for the general case, we also show that the power of the gravitational radiation due to this planet can be comparable or even exceed the power of the gravitational radiation due to the stars in the binary. This means that in the future, with a progress of gravitational wave detectors, the presence of a planet in a conic-helical orbit could be revealed by the noticeably enhanced gravitational radiation from the binary star system.« less

Lyotropic liquid crystal engineering moving beyond binary compositional space - ordered nanostructured amphiphile self-assembly materials by design.

PubMed

van 't Hag, Leonie; Gras, Sally L; Conn, Charlotte E; Drummond, Calum J

2017-05-22

Ordered amphiphile self-assembly materials with a tunable three-dimensional (3D) nanostructure are of fundamental interest, and crucial for progressing several biological and biomedical applications, including in meso membrane protein crystallization, as drug and medical contrast agent delivery vehicles, and as biosensors and biofuel cells. In binary systems consisting of an amphiphile and a solvent, the ability to tune the 3D cubic phase nanostructure, lipid bilayer properties and the lipid mesophase is limited. A move beyond the binary compositional space is therefore required for efficient engineering of the required material properties. In this critical review, the phase transitions upon encapsulation of more than 130 amphiphilic and soluble additives into the bicontinuous lipidic cubic phase under excess hydration are summarized. The data are interpreted using geometric considerations, interfacial curvature, electrostatic interactions, partition coefficients and miscibility of the alkyl chains. The obtained lyotropic liquid crystal engineering design rules can be used to enhance the formulation of self-assembly materials and provides a large library of these materials for use in biomedical applications (242 references).

Decomposing Task-Switching Costs with the Diffusion Model

ERIC Educational Resources Information Center

Schmitz, Florian; Voss, Andreas

2012-01-01

In four experiments, task-switching processes were investigated with variants of the alternating runs paradigm and the explicit cueing paradigm. The classical diffusion model for binary decisions (Ratcliff, 1978) was used to dissociate different components of task-switching costs. Findings can be reconciled with the view that task-switching…

Upper bounds on the error probabilities and asymptotic error exponents in quantum multiple state discrimination

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

Audenaert, Koenraad M. R., E-mail: koenraad.audenaert@rhul.ac.uk; Department of Physics and Astronomy, University of Ghent, S9, Krijgslaan 281, B-9000 Ghent; Mosonyi, Milán, E-mail: milan.mosonyi@gmail.com

2014-10-01

We consider the multiple hypothesis testing problem for symmetric quantum state discrimination between r given states σ₁, …, σ{sub r}. By splitting up the overall test into multiple binary tests in various ways we obtain a number of upper bounds on the optimal error probability in terms of the binary error probabilities. These upper bounds allow us to deduce various bounds on the asymptotic error rate, for which it has been hypothesized that it is given by the multi-hypothesis quantum Chernoff bound (or Chernoff divergence) C(σ₁, …, σ{sub r}), as recently introduced by Nussbaum and Szkoła in analogy with Salikhov'smore » classical multi-hypothesis Chernoff bound. This quantity is defined as the minimum of the pairwise binary Chernoff divergences min{sub j« less

Clumpy wind accretion in supergiant neutron star high mass X-ray binaries

NASA Astrophysics Data System (ADS)

Bozzo, E.; Oskinova, L.; Feldmeier, A.; Falanga, M.

2016-05-01

The accretion of the stellar wind material by a compact object represents the main mechanism powering the X-ray emission in classical supergiant high mass X-ray binaries and supergiant fast X-ray transients. In this work we present the first attempt to simulate the accretion process of a fast and dense massive star wind onto a neutron star, taking into account the effects of the centrifugal and magnetic inhibition of accretion ("gating") due to the spin and magnetic field of the compact object. We made use of a radiative hydrodynamical code to model the nonstationary radiatively driven wind of an O-B supergiant star and then place a neutron star characterized by a fixed magnetic field and spin period at a certain distance from the massive companion. Our calculations follow, as a function of time (on a total timescale of several hours), the transitions of the system through all different accretion regimes that are triggered by the intrinsic variations in the density and velocity of the nonstationary wind. The X-ray luminosity released by the system is computed at each time step by taking into account the relevant physical processes occurring in the different accretion regimes. Synthetic lightcurves are derived and qualitatively compared with those observed from classical supergiant high mass X-ray binaries and supergiant fast X-ray transients. Although a number of simplifications are assumed in these calculations, we show that taking into account the effects of the centrifugal and magnetic inhibition of accretion significantly reduces the average X-ray luminosity expected for any neutron star wind-fed binary. The present model calculations suggest that long spin periods and stronger magnetic fields are favored in order to reproduce the peculiar behavior of supergiant fast X-ray transients in the X-ray domain.

Recurrent novae

NASA Technical Reports Server (NTRS)

Hack, Margherita; Selvelli, Pierluigi

1993-01-01

Recurrent novae seem to be a rather inhomogeneous group: T CrB is a binary with a M III companion; U Sco probably has a late dwarf as companion. Three are fast novae; two are slow novae. Some of them appear to have normal chemical composition; others may present He and CNO excess. Some present a mass-loss that is lower by two orders of magnitude than classical novae. However, our sample is too small for saying whether there are several classes of recurrent novae, which may be related to the various classes of classical novae, or whether the low mass-loss is a general property of the class or just a peculiarity of one member of the larger class of classical novae and recurrent novae.

Hydrodynamical processes in coalescing binary stars

NASA Astrophysics Data System (ADS)

Lai, Dong

1994-01-01

Coalescing neutron star binaries are considered to be the most promising sources of gravitational waves that could be detected by the planned laser-interferometer LIGO/VIRGO detectors. Extracting gravity wave signals from noisy data requires accurate theoretical waveforms in the frequency range 10-1000 Hz end detailed understanding of the dynamics of the binary orbits. We investigate the quasi-equilibrium and dynamical tidal interactions in coalescing binary stars, with particular focus on binary neutron stars. We develop a new formalism to study the equilibrium and dynamics of fluid stars in binary systems. The stars are modeled as compressible ellipsoids, and satisfy polytropic equation of state. The hydrodynamic equations are reduced to a set of ordinary differential equations for the evolution of the principal axes and other global quantities. The equilibrium binary structure is determined by a set of algebraic equations. We consider both synchronized and nonsynchronized systems, obtaining the generalizations to compressible fluid of the classical results for the ellipsoidal binary configurations. Our method can be applied to a wide variety of astrophysical binary systems containing neutron stars, white dwarfs, main-sequence stars and planets. We find that both secular and dynamical instabilities can develop in close binaries. The quasi-static (secular) orbital evolution, as well as the dynamical evolution of binaries driven by viscous dissipation and gravitational radiation reaction are studied. The development of the dynamical instability accelerates the binary coalescence at small separation, leading to appreciable radial infall velocity near contact. We also study resonant excitations of g-mode oscillations in coalescing binary neutron stars. A resonance occurs when the frequency of the tidal driving force equals one of the intrinsic g-mode frequencies. Using realistic microscopic nuclear equations of state, we determine the g-modes in a cold neutron atar. Resonant excitations of these g-modes during the last few minutes of the binary coalescence result in energy transfer and angular momentum transfer from the binary orbit to the neutron star. Because of the weak coupling between the g-modes and the tidal potential, the induced orbital phase errors due to resonances are small. However, resonant excitations of the g-modes play an important role in the tidal heating of binary neutron stars.

Surface segregation in binary mixtures of imidazolium-based ionic liquids

NASA Astrophysics Data System (ADS)

Souda, Ryutaro

2010-09-01

Surface composition of binary mixtures of room-temperature ionic liquids has been investigated using time-of-flight secondary ion mass spectrometry at room temperature over a wide composition range. The imidazolium cations with longer aliphatic groups tend to segregate to the surface, and a bis(trifluoromethanesulfonyl)imide anion (Tf 2N -) is enriched at the surface relative to hexafluorophosphate (PF 6-). The surface of an equimolar mixture of Li[Tf 2N] and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF 6]) has a nominal composition of [bmim][Tf 2N] because of surface segregation and ligand exchange. The surface segregation of cations and anions is likely to result from alignment of specific ligand-exchanged molecules at the topmost surface layer to exclude more hydrophobic part of the molecules.

Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)

NASA Astrophysics Data System (ADS)

Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)' providing data from direct measurement of pressure and mole fraction in vapor phase at variable mole fraction in liquid phase and constant temperature.

Network structure and concentration fluctuations in a series of elemental, binary, and tertiary liquids and glasses.

PubMed

Soper, Alan K

2010-10-13

Liquids and glasses continue to produce a lively debate about the nature of the disordered structure in these materials, and whether it is driven by longer range concentration or density fluctuations. One factor often lacking in these studies is an overview of a wide range of structures from which common features of and differences between materials can be identified. Here I examine the structure of a wide range of chain and network, elemental, binary and tertiary liquids and glasses, using available x-ray and neutron diffraction data and combining them with empirical potential structure refinement. Calculation of the Bhatia-Thornton number-number and concentration-concentration structure factors and distribution functions highlights common structural motifs that run through many of the series. It is found that the greatest structural overlap occurs where the nearest-neighbour and second-neighbour coordination numbers are similar for different materials. As these coordination numbers increase, so the structures undergo a sequence of characteristic changes involving increasingly bent bond angle distributions and increased packing fractions. In these regards liquid and amorphous phosphorus appear to be in a structural class of their own, combining both chain-like and network-like characteristics.

COLLISIONAL EVOLUTION OF ULTRA-WIDE TRANS-NEPTUNIAN BINARIES

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

Parker, Alex H.; Kavelaars, J. J., E-mail: alexhp@uvic.ca

2012-01-10

The widely separated, near-equal mass binaries hosted by the cold classical Kuiper Belt are delicately bound and subject to disruption by many perturbing processes. We use analytical arguments and numerical simulations to determine their collisional lifetimes given various impactor size distributions and include the effects of mass loss and multiple impacts over the lifetime of each system. These collisional lifetimes constrain the population of small (R {approx}> 1 km) objects currently residing in the Kuiper Belt and confirm that the size distribution slope at small size cannot be excessively steep-likely q {approx}< 3.5. We track mutual semimajor axis, inclination, andmore » eccentricity evolution through our simulations and show that it is unlikely that the wide binary population represents an evolved tail of the primordially tight binary population. We find that if the wide binaries are a collisionally eroded population, their primordial mutual orbit planes must have preferred to lie in the plane of the solar system. Finally, we find that current limits on the size distribution at small radii remain high enough that the prospect of detecting dust-producing collisions in real time in the Kuiper Belt with future optical surveys is feasible.« less

Low temperature binary gas mixtures

NASA Astrophysics Data System (ADS)

McIntosh, Glen E.; Leonard, Kenneth R.

2017-12-01

Application of partial pressure technology to combinations of one gas above its critical temperature (helium) mixed with a two-phase liquid (nitrogen) can result in liquid temperatures down to and below the nitrogen triple point. The thermodynamics of this process is developed and an experimental apparatus is described which was used to produce a helium/nitrogen bath temperature of 59.17 K, 4 K lower than the 63.2 K nitrogen triple point and lower than any liquid nitrogen temperature reported in the literature.

Prediction of Formation of Amorphous Alloys During Annealing of Ti-binary Alloys and Validation of the Same

DTIC Science & Technology

2009-11-22

The authors argued that the occurrence of the reversible step in the specific heat reflected “the freezing and unfreezing of some degree of freedom...of steel, the austenite phase is sometimes formed in a composition range where ferrite and liquid are the equilibrium phases. The formation of the...austenite is explained by the construction of a meta-stable extension of the (austenite+liquid) field into the ( ferrite +liquid) region. The

Phase relations in the system NaCl-KCl-H2O: IV. Differential thermal analysis of the sylvite liquidus in the KCl-H2O binary, the liquidus in the NaCl-KCl-H2O ternary, and the solidus in the NaCl-KCl binary to 2 kb pressure, and a summary of experimental data for thermodynamic-PTX analysis of solid-liquid equilibria at elevated P-T conditions

USGS Publications Warehouse

Chou, I.-Ming; Sterner, S.M.; Pitzer, Kenneth S.

1992-01-01

The sylvite liquidus in the binary system KCl-H2O and the liquidus in the ternary system NaCl-KCl-H2O were determined by using isobaric differential thermal analysis (DTA) cooling scans at pressures up to 2 kbars. Sylvite solubilities along the three-phase curve in the binary system KCl-H2O were obtained by the intersection of sylvite-liquidus isopleths with the three-phase curve in a P-T plot. These solubility data can be represented by the equation Wt.% KCl (??0.2) = 12.19 + 0.1557T - 5.4071 ?? 10-5 T2, where 400 ??? T ??? 770??C. These data are consistent with previous experimental observations. The solidus in the binary system NaCl-KCl was determined by using isobaric DTA heating scans at pressures up to 2 kbars. Using these liquidus and solidus data and other published information, a thermodynamic-PTX analysis of solid-liquid equilibria at high pressures and temperatures for the ternary system has been performed and is presented in an accompanying paper (Part V of this series). However, all experimental liquidus, solidus, and solvus data used in this analysis are summarized in this report (Part IV) and they are compared with the calculated values based on the analysis. ?? 1992.

Period variation studies of six contact binaries in M4

NASA Astrophysics Data System (ADS)

Rukmini, Jagirdar; Shanti Priya, Devarapalli

2018-04-01

We present the first period study of six contact binaries in the closest globular cluster M4 the data collected from June 1995‑June 2009 and Oct 2012‑Sept 2013. New times of minima are determined for all the six variables and eclipse timing (O-C) diagrams along with the quadratic fit are presented. For all the variables, the study of (O-C) variations reveals changes in the periods. In addition, the fundamental parameters for four of the contact binaries obtained using the Wilson-Devinney code (v2003) are presented. Planned observations of these binaries using the 3.6-m Devasthal Optical Telescope (DOT) and the 4-m International Liquid Mirror Telescope (ILMT) operated by the Aryabhatta Research Institute of Observational Sciences (ARIES; Nainital) can throw light on their evolutionary status from long term period variation studies.

Binary collision approximations for the memory function for density fluctuations in equilibrium atomic liquids

NASA Astrophysics Data System (ADS)

Noah, Joyce E.

Time correlation functions of density fluctuations of liquids at equilibrium can be used to relate the microscopic dynamics of a liquid to its macroscopic transport properties. Time correlation functions are especially useful since they can be generated in a variety of ways, from scattering experiments to computer simulation to analytic theory. The kinetic theory of fluctuations in equilibrium liquids is an analytic theory for calculating correlation functions using memory functions. In this work, we use a diagrammatic formulation of the kinetic theory to develop a series of binary collision approximations for the collisional part of the memory function. We define binary collisions as collisions between two distinct density fluctuations whose identities are fixed during the duration of a collsion. R approximations are for the short time part of the memory function, and build upon the work of Ranganathan and Andersen. These approximations have purely repulsive interactions between the fluctuations. The second type of approximation, RA approximations, is for the longer time part of the memory function, where the density fluctuations now interact via repulsive and attractive forces. Although RA approximations are a natural extension of R approximations, they permit two density fluctuations to become trapped in the wells of the interaction potential, leading to long-lived oscillatory behavior, which is unphysical. Therefore we consider S approximations which describe binary particles which experience the random effect of the surroundings while interacting via repulsive or repulsive and attractive interactions. For each of these approximations for the memory function we numerically solve the kinetic equation to generate correlation functions. These results are compared to molecular dynamics results for the correlation functions. Comparing the successes and failures of the different approximations, we conclude that R approximations give more accurate intermediate and long time results while RA and S approximations do particularly well at predicting the short time behavior. Lastly, we also develop a series of non-graphically derived approximations and use an optimization procedure to determine the underlying memory function from the simulation data. These approaches provide valuable information about the memory function that will be used in the development of future kinetic theories.

Theory of anomalous critical-cluster content in high-pressure binary nucleation.

PubMed

Kalikmanov, V I; Labetski, D G

2007-02-23

Nucleation experiments in binary (a-b) mixtures, when component a is supersaturated and b (carrier gas) is undersaturated, reveal that for some mixtures at high pressures the a content of the critical cluster dramatically decreases with pressure contrary to expectations based on classical nucleation theory. We show that this phenomenon is a manifestation of the dominant role of the unlike interactions at high pressures resulting in the negative partial molar volume of component a in the vapor phase beyond the compensation pressure. The analysis is based on the pressure nucleation theorem for multicomponent systems which is invariant to a nucleation model.

The binary companion of the classical Cepheid AW Per

NASA Technical Reports Server (NTRS)

Evans, Nancy Remage

1989-01-01

An analysis of IUE spectra of the companion of AW Per shows it to be an extreme BpSi/HeW star with a spectral type of B7 V to B8 V. The flux of the composite spectrum from 1200 A through V is found to be well matched by F7 Ib and B8 V standard stars with Delta M(V) = 3.1 mag. The results suggest that the mass of the Cepheid must be greater than 4.7 solar masses. The flux distribution of the star and the mass limits from the orbit are consistent with a companion that is itself a binary.

The susceptibility critical exponent for a nonaqueous ionic binary mixture near a consolute point

NASA Technical Reports Server (NTRS)

Zhang, Kai C.; Briggs, Matthew E.; Gammon, Robert W.; Levelt Sengers, J. M. H.

1992-01-01

We report turbidity measurements of a nonaqueous ionic solution of triethyl n-hexylammonium triethyl n-hexylboride in diphenyl ether. A classical susceptibility critical exponent gamma = 1.01 +/- 0.01 is obtained over the reduced temperature range t between values of 0.1 and 0.0001. The best fits of the sample transmission had a standard deviation of 0.39 percent over this range. Ising and spherical model critical exponents are firmly excluded. The correlation length amplitude xi sub 0 from fitting is 1.0 +/- 0.2 nm which is much larger than values found in neutral fluids and some aqueous binary mixtures.

Producing Liquid Oxygen in the Classroom

ERIC Educational Resources Information Center

Williams, David; Warden, Nicole; Wharton, Barry

2016-01-01

A number of organisations have provided instructions on how to produce small quantities of liquid oxygen in the classroom using liquid nitrogen and a copper condensation coil (Lister 1995 "Classic Chemistry Demonstrations" (London: Royal Society of Chemistry) pp 61-2, French and Hibbert 2010 "Phys. Educ." 45 221-2). The method…

Eclipsing binary stars as tests of gravity theories - The apsidal motion of AS Camelopardalis

NASA Technical Reports Server (NTRS)

Maloney, Frank P.; Guinan, Edward F.; Boyd, Patricia T.

1989-01-01

AS Camelopardalis is an 8th-magnitude eclipsing binary that consists of two main-sequence (B8 V and a B9.5 V) components in an eccentric orbit (e = 0.17) with an orbital period of 3.43 days. Like the eccentric eclipsing system DI Herculis, and a few other systems, AS Cam is an important test case for studying relativistic apsidal motion. In these systems, the theoretical general relativistic apsidal motion is comparable to that expected from classical effects arising from tidal and rotational deformation of the stellar components. Accurate determinations of the orbital and stellar properties of AS Cam have been made by Hilditch (1972) and Khalliulin and Kozyreva (1983) that permit the theoretical relativistic and classical contributions to the apsidal motion to be determined reasonably well. All the published timings of primary and secondary minima have been gathered and supplemented with eclipse timings from 1899 to 1920 obtained from the Harvard plate collection. Least-squares solutions of the eclipse timings extending over an 80 yr interval yield a smaller than expected apsidal motion, in agreement with that found by Khalliulin and Kozyreva from a smaller set of data. The observed apsidal motion for AS Cam is about one-third that expected from the combined relativistic and classical effects. Thus, AS Cam joins DI Her in having an observed apsidal motion significantly less than that predicted from theory.

Spin-diffusions and diffusive molecular dynamics

NASA Astrophysics Data System (ADS)

Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon

2017-12-01

Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.

Soft beams: When capillarity induces axial compression

NASA Astrophysics Data System (ADS)

Neukirch, S.; Antkowiak, A.; Marigo, J.-J.

2014-01-01

We study the interaction of an elastic beam with a liquid drop in the case where bending and extensional effects are both present. We use a variational approach to derive equilibrium equations and constitutive relation for the beam. This relation is shown to include a term due to surface energy in addition to the classical Young's modulus term, leading to a modification of Hooke's law. At the triple point where solid, liquid, and vapor phases meet, we find that the external force applied on the beam is parallel to the liquid-vapor interface. Moreover, in the case where solid-vapor and solid-liquid interface energies do not depend on the extension state of the beam, we show that the extension in the beam is continuous at the triple point and that the wetting angle satisfies the classical Young-Dupré relation.

Soft beams: when capillarity induces axial compression.

PubMed

Neukirch, S; Antkowiak, A; Marigo, J-J

2014-01-01

We study the interaction of an elastic beam with a liquid drop in the case where bending and extensional effects are both present. We use a variational approach to derive equilibrium equations and constitutive relation for the beam. This relation is shown to include a term due to surface energy in addition to the classical Young's modulus term, leading to a modification of Hooke's law. At the triple point where solid, liquid, and vapor phases meet, we find that the external force applied on the beam is parallel to the liquid-vapor interface. Moreover, in the case where solid-vapor and solid-liquid interface energies do not depend on the extension state of the beam, we show that the extension in the beam is continuous at the triple point and that the wetting angle satisfies the classical Young-Dupré relation.

A horizontally polarizing liquid trap enhances the tabanid-capturing efficiency of the classic canopy trap.

PubMed

Egri, Á; Blahó, M; Száz, D; Kriska, G; Majer, J; Herczeg, T; Gyurkovszky, M; Farkas, R; Horváth, G

2013-12-01

Host-seeking female tabanid flies, that need mammalian blood for the development of their eggs, can be captured by the classic canopy trap with an elevated shiny black sphere as a luring visual target. The design of more efficient tabanid traps is important for stock-breeders to control tabanids, since these blood-sucking insects can cause severe problems for livestock, especially for horse- and cattle-keepers: reduced meat/milk production in cattle farms, horses cannot be ridden, decreased quality of hides due to biting scars. We show here that male and female tabanids can be caught by a novel, weather-proof liquid-filled black tray laid on the ground, because the strongly and horizontally polarized light reflected from the black liquid surface attracts water-seeking polarotactic tabanids. We performed field experiments to reveal the ideal elevation of the liquid trap and to compare the tabanid-capturing efficiency of three different traps: (1) the classic canopy trap, (2) the new polarization liquid trap, and (3) the combination of the two traps. In field tests, we showed that the combined trap captures 2.4-8.2 times more tabanids than the canopy trap alone. The reason for the larger efficiency of the combined trap is that it captures simultaneously the host-seeking female and the water-seeking male and female tabanids. We suggest supplementing the traditional canopy trap with the new liquid trap in order to enhance the tabanid-capturing efficiency.

Bactericidal action of binary and ternary mixtures of carvacrol, thymol, and eugenol against Listeria innocua.

PubMed

García-García, Rebeca; López-Malo, Aurelio; Palou, Enrique

2011-03-01

The bactericidal effect of 3 natural agents (carvacrol, thymol, and eugenol) was evaluated as well as their binary and ternary mixtures on Listeria innocua inactivation in liquid model systems. Minimal bactericidal concentrations (MBC) of these agents were determined, and then binary and ternary mixtures were evaluated. Culture media were inoculated with L. innocua and incubated for 72 h at 35 °C. Turbidity of studied systems were determined every 24 h. The most effective individual antimicrobial agent was carvacrol, followed by thymol and then eugenol with MBCs of 150, 250, and 450 mg kg(-1), respectively. It was observed that the most effective binary mixture was 75 mg kg(-1) carvacrol and 62.5 mg kg(-1) thymol. Furthermore, the ternary mixture carvacrol-thymol-eugenol in concentrations of 75, 31.25, and 56.25 mg kg(-1), correspondingly, was the most effective for L. innocua inactivation. Several binary and ternary mixtures of these 3 natural antimicrobial agents worked adequately to inactivate L. innocua.

Viscosities of nonelectrolyte liquid mixtures. III. Selected binary and quaternary mixtures

NASA Astrophysics Data System (ADS)

Wakefield, D. L.

1988-05-01

This paper is the final in a series of three viscosity and density studies of pure n-alkanes and selected binary and quaternary mixtures. A standard U-tube viscometer was used for viscosity measurements, and a Pyrex flask-type pycnometer was used for density determinations. Results are given here for pure alkane and selected binary mixtures of n-tetradecane + n-octane, for selected quaternary mixtures of n-hexadecane + n-dodecane + n-decane + n-hexane, and for pure and selected quaternary mixtures of n-hexadecane + n-dodecane + n-nonane + n-heptane at 303.16 and 308.16 K. The principle of congruence was tested, as was the Grunberg and Nissan equation, as they have been shown to be useful as prediction techniques for other n-alkane binary mixtures. Comparisons were made between the two groups of quaternary alkane mixtures and the binary n-tetradecane + n-octane mixtures of the same “pseudo” composition to understand better the dependence of mixture viscosities on the composition parameter.

A Strategy for Replacing Sum Scoring

ERIC Educational Resources Information Center

Ramsay, James O.; Wiberg, Marie

2017-01-01

This article promotes the use of modern test theory in testing situations where sum scores for binary responses are now used. It directly compares the efficiencies and biases of classical and modern test analyses and finds an improvement in the root mean squared error of ability estimates of about 5% for two designed multiple-choice tests and…

Grammaticality, Acceptability, and Probability: A Probabilistic View of Linguistic Knowledge

ERIC Educational Resources Information Center

Lau, Jey Han; Clark, Alexander; Lappin, Shalom

2017-01-01

The question of whether humans represent grammatical knowledge as a binary condition on membership in a set of well-formed sentences, or as a probabilistic property has been the subject of debate among linguists, psychologists, and cognitive scientists for many decades. Acceptability judgments present a serious problem for both classical binary…

Binary ROCs in Perception and Recognition Memory Are Curved

ERIC Educational Resources Information Center

Dube, Chad; Rotello, Caren M.

2012-01-01

In recognition memory, a classic finding is that receiver operating characteristics (ROCs) are curvilinear. This has been taken to support the fundamental assumptions of signal detection theory (SDT) over discrete-state models such as the double high-threshold model (2HTM), which predicts linear ROCs. Recently, however, Broder and Schutz (2009)…

High-pressure liquid chromatography: A brief introduction and its application in analyzing the degradation of a C-ether (Thio-ether) liquid lubricant

NASA Technical Reports Server (NTRS)

1983-01-01

The general principles of classical liquid chromatography and high pressure liquid chromatography (HPLC) are reviewed, and their advantages and disadvantages are compared. Several chromatographic techniques are reviewed, and the analytical separation of a C-ether liquid lubricant by each technique is illustrated. A practical application of HPLC is then demonstrated by analyzing a degraded C-ether liquid lubricant from full scale, high temperature bearing tests.

MAJIQ-SPEL: Web-tool to interrogate classical and complex splicing variations from RNA-Seq data.

PubMed

Green, Christopher J; Gazzara, Matthew R; Barash, Yoseph

2017-09-11

Analysis of RNA sequencing (RNA-Seq) data have highlighted the fact that most genes undergo alternative splicing (AS) and that these patterns are tightly regulated. Many of these events are complex, resulting in numerous possible isoforms that quickly become difficult to visualize, interpret, and experimentally validate. To address these challenges we developed MAJIQ-SPEL, a web-tool that takes as input local splicing variations (LSVs) quantified from RNA-Seq data and provides users with visualization and quantification of gene isoforms associated with those. Importantly, MAJIQ-SPEL is able to handle both classical (binary) and complex, non-binary, splicing variations. Using a matching primer design algorithm it also suggests users possible primers for experimental validation by RT-PCR and displays those, along with the matching protein domains affected by the LSV, on UCSC Genome Browser for further downstream analysis. Program and code will be available at http://majiq.biociphers.org/majiq-spel. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Exploring quantum computing application to satellite data assimilation

NASA Astrophysics Data System (ADS)

Cheung, S.; Zhang, S. Q.

2015-12-01

This is an exploring work on potential application of quantum computing to a scientific data optimization problem. On classical computational platforms, the physical domain of a satellite data assimilation problem is represented by a discrete variable transform, and classical minimization algorithms are employed to find optimal solution of the analysis cost function. The computation becomes intensive and time-consuming when the problem involves large number of variables and data. The new quantum computer opens a very different approach both in conceptual programming and in hardware architecture for solving optimization problem. In order to explore if we can utilize the quantum computing machine architecture, we formulate a satellite data assimilation experimental case in the form of quadratic programming optimization problem. We find a transformation of the problem to map it into Quadratic Unconstrained Binary Optimization (QUBO) framework. Binary Wavelet Transform (BWT) will be applied to the data assimilation variables for its invertible decomposition and all calculations in BWT are performed by Boolean operations. The transformed problem will be experimented as to solve for a solution of QUBO instances defined on Chimera graphs of the quantum computer.

Linear regression analysis and its application to multivariate chromatographic calibration for the quantitative analysis of two-component mixtures.

PubMed

Dinç, Erdal; Ozdemir, Abdil

2005-01-01

Multivariate chromatographic calibration technique was developed for the quantitative analysis of binary mixtures enalapril maleate (EA) and hydrochlorothiazide (HCT) in tablets in the presence of losartan potassium (LST). The mathematical algorithm of multivariate chromatographic calibration technique is based on the use of the linear regression equations constructed using relationship between concentration and peak area at the five-wavelength set. The algorithm of this mathematical calibration model having a simple mathematical content was briefly described. This approach is a powerful mathematical tool for an optimum chromatographic multivariate calibration and elimination of fluctuations coming from instrumental and experimental conditions. This multivariate chromatographic calibration contains reduction of multivariate linear regression functions to univariate data set. The validation of model was carried out by analyzing various synthetic binary mixtures and using the standard addition technique. Developed calibration technique was applied to the analysis of the real pharmaceutical tablets containing EA and HCT. The obtained results were compared with those obtained by classical HPLC method. It was observed that the proposed multivariate chromatographic calibration gives better results than classical HPLC.

Impact of water dilution and cation tail length on ionic liquid characteristics: Interplay between polar and non-polar interactions

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

Hegde, Govind A.; Bharadwaj, Vivek S.; Kinsinger, Corey L.

2016-08-14

The recalcitrance of lignocellulosic biomass poses a major challenge that hinders the economical utilization of biomass for the production of biofuel, plastics, and chemicals. Ionic liquids have become a promising solvent that addresses many issues in both the pretreatment process and the hydrolysis of the glycosidic bond for the deconstruction of cellulosic materials. However, to make the use of ionic liquids economically viable, either the cost of ionic liquids must be reduced, or a less expensive solvent (e.g., water) may be added to reduce the overall amount of ionic liquid used in addition to reducing the viscosity of the binarymore » liquid mixture. In this work, we employ atomistic molecular dynamics simulations to investigate the impact of water dilution on the overall liquid structure and properties of three imidazolium based ionic liquids. It is found that ionic liquid-water mixtures exhibit characteristics that can be grouped into two distinct regions, which are a function of the ionic liquid concentration. The trends observed in each region are found to correlate with the ordering in the local structure of the ionic liquid that arises from the dynamic interactions between the ion pairs. Simulation results suggest that there is a high level of local ordering in the molecular structure at high concentrations of ionic liquids that is driven by the aggregation of the cationic tails and the anion-water interactions. It is found that as the concentration of ionic liquids in the binary mixture is decreased, there is a point at which the competing self and cross interaction energies between the ionic liquid and water shifts away from a cation-anion dominated regime, which results in a significant change in the mixture properties. This break point, which occurs around 75% w/w ionic liquids, corresponds to the point at which water molecules percolate into the ionic liquid network disrupting the ionic liquids’ nanostructure. It is observed that as the cationic alkyl tail length increases, the changes in the binary mixtures’ properties become more pronounced.« less

The massive star binary fraction in young open clusters - II. NGC6611 (Eagle Nebula)

NASA Astrophysics Data System (ADS)

Sana, H.; Gosset, E.; Evans, C. J.

2009-12-01

Based on a set of over 100 medium- to high-resolution optical spectra collected from 2003 to 2009, we investigate the properties of the O-type star population in NGC6611 in the core of the Eagle Nebula (M16). Using a much more extended data set than previously available, we revise the spectral classification and multiplicity status of the nine O-type stars in our sample. We confirm two suspected binaries and derive the first SB2 orbital solutions for two systems. We further report that two other objects are displaying a composite spectrum, suggesting possible long-period binaries. Our analysis is supported by a set of Monte Carlo simulations, allowing us to estimate the detection biases of our campaign and showing that the latter do not affect our conclusions. The absolute minimal binary fraction in our sample is fmin = 0.44 but could be as high as 0.67 if all the binary candidates are confirmed. As in NGC6231 (see Paper I), up to 75 per cent of the O star population in NGC6611 are found in an O+OB system, thus implicitly excluding random pairing from a classical IMF as a process to describe the companion association in massive binaries. No statistical difference could be further identified in the binary fraction, mass-ratio and period distributions between NGC6231 and NGC 6611, despite the difference in age and environment of the two clusters.

Density functional theory of gas-liquid phase separation in dilute binary mixtures

NASA Astrophysics Data System (ADS)

Okamoto, Ryuichi; Onuki, Akira

2016-06-01

We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas Δ {μ\\text{s}} (the Gibbs energy of transfer) is considerably larger than the thermal energy {{k}\\text{B}}T for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by {{k}\\text{B}}Tn2\\ell\\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right) , where n2\\ell is the solute density added in liquid. For \\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right)\\gg 1 , phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

Physico-Chemical Properties and Phase Behaviour of Pyrrolidinium-Based Ionic Liquids

PubMed Central

Domańska, Urszula

2010-01-01

A review of the relevant literature on 1-alkyl-1-methylpyrrolidinium-based ionic liquids has been presented. The phase diagrams for the binary systems of {1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate) [EMPYR][CF3SO3] + water, or + 1-butanol} and for the binary systems of {1-propyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate) [PMPYR][CF3SO3] + water, or + an alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol)} have been determined at atmospheric pressure using a dynamic method. The influence of alcohol chain length was discussed for the [PMPYR][CF3SO3]. A systematic decrease in the solubility was observed with an increase of the alkyl chain length of an alcohol. (Solid + liquid) phase equilibria with complete miscibility in the liquid phase region were observed for the systems involving water and alcohols. The solubility of the ionic liquid increases as the alkyl chain length on the pyrrolidinium cation increases. The correlation of the experimental data has been carried out using the Wilson, UNIQUAC and the NRTL equations. The phase diagrams reported here have been compared to the systems published earlier with the 1-alkyl-1-methylpyrrolidinium-based ionic liquids. The influence of the cation and anion on the phase behaviour has been discussed. The basic thermal properties of pure ILs, i.e., melting temperature and the enthalpy of fusion, the solid-solid phase transition temperature and enthalpy have been measured using a differential scanning microcalorimetry technique. PMID:20480044

Au-Ge MEAM potential fitted to the binary phase diagram

NASA Astrophysics Data System (ADS)

Wang, Yanming; Santana, Adriano; Cai, Wei

2017-02-01

We have developed a modified embedded atom method potential for the gold-germanium (Au-Ge) binary system that is fitted to the experimental binary phase diagram. The phase diagram is obtained from the common tangent construction of the free energy curves calculated by the adiabatic switching method. While maintaining the accuracy of the melting points of pure Au and Ge, this potential reproduces the eutectic temperature, eutectic composition and the solubility of Ge in solid Au, all in good agreement with the experimental values. To demonstrate the self-consistency of the potential, we performed benchmark molecular dynamics simulations of Ge crystal growth and etching in contact with a Au-Ge liquid alloy.

Estimation of the Viscosities of Liquid Sn-Based Binary Lead-Free Solder Alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Li, Jinquan

2018-01-01

The viscosity of a binary Sn-based lead-free solder alloy was calculated by combining the predicted model with the Miedema model. The viscosity factor was proposed and the relationship between the viscosity and surface tension was analyzed as well. The investigation result shows that the viscosity of Sn-based lead-free solders predicted from the predicted model shows excellent agreement with the reported values. The viscosity factor is determined by three physical parameters: atomic volume, electronic density, and electro-negativity. In addition, the apparent correlation between the surface tension and viscosity of the binary Sn-based Pb-free solder was obtained based on the predicted model.

A Molecular Dynamics Study of the Structure-Dynamics Relationships of Supercooled Liquids and Glasses

NASA Astrophysics Data System (ADS)

Soklaski, Ryan

Central to the field of condensed matter physics is a decades old outstanding problem in the study of glasses -- namely explaining the extreme slowing of dynamics in a liquid as it is supercooled towards the so-called glass transition. Efforts to universally describe the stretched relaxation processes and heterogeneous dynamics that characteristically develop in supercooled liquids remain divided in both their approaches and successes. Towards this end, a consensus on the role that atomic and molecular structures play in the liquid is even more tenuous. However, mounting material science research efforts have culminated to reveal that the vast diversity of metallic glass species and their properties are rooted in an equally-broad set of structural archetypes. Herein lies the motivation of this dissertation: the detailed information available regarding the structure-property relationships of metallic glasses provides a new context in which one can study the evolution of a supercooled liquid by utilizing a structural motif that is known to dominate the glass. Cu64Zr36 is a binary alloy whose good glass-forming ability and simple composition makes it a canonical material to both empirical and numerical studies. Here, we perform classical molecular dynamics simulations and conduct a comprehensive analysis of the dynamical regimes of liquid Cu64Zr36, while focusing on the roles played by atomic icosahedral ordering -- a structural motif which ultimately percolates the glass' structure. Large data analysis techniques are leveraged to obtain uniquely detailed structural and dynamical information in this context. In doing so, we develop the first account of the origin of icosahedral order in this alloy, revealing deep connections between this incipient structural ordering, frustration-limited domain theory, and recent important empirical findings that are relevant to the nature of metallic liquids at large. Furthermore, important dynamical landmarks such as the breakdown of the Stokes-Einstein relationship, the decoupling of particle diffusivities, and the development of general "glassy" relaxation features are found to coincide with successive manifestation of icosahedral ordering that arise as the liquid is supercooled. Remarkably, we detect critical-like features in the growth of the icosahedron network, with signatures that suggest that a liquid-liquid phase transition may occur in the deeply supercooled regime to precede glass formation. Such a transition is predicted to occur in many supercooled liquids, although explicit evidence of this phenomenon in realistic systems is scarce. Ultimately this work concludes that icosahedral order characterizes all dynamical regimes of Cu64Zr 36, demonstrating the importance and utility of studying supercooled liquids in the context of locally-preferred structure. More broadly, it serves to confirm and inform recent theoretical and empirical findings that are central to understanding the physics underlying the glass transition.

A Demonstration of the Continuous Phase (Second-Order) Transition of a Binary Liquid System in the Region around Its Critical Point

ERIC Educational Resources Information Center

Johnson, Michael R.

2006-01-01

In most general chemistry and introductory physical chemistry classes, critical point is defined as that temperature-pressure point on a phase diagram where the liquid-gas interface disappears, a phenomenon that generally occurs at relatively high temperatures or high pressures. Two examples are: water, with a critical point at 647 K (critical…

BVR{sub c}I{sub c} observations and analyses on V2421 Cygni, a precontact W UMa binary

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

Samec, R. G.; Shebs, Travis S.; Faulkner, D. R.

2014-01-01

We present the first precision BVRI light curves, synthetic light curve solutions, and a period study for the high amplitude solar type binary, V2421 Cygni. The light curves have the appearance of an Algol (EA) type; however, it is made up of dwarf solar type components in a detached mode with a period of only 0.6331 days with an amplitude of about a full magnitude, i.e., it is a precontact W UMa binary. Flare-like disruptions occur in the light curves following the primary and secondary eclipses possibly due to the line-of-sight track of a gas stream. An associated stream spotmore » and splash spot cause bright equatorial spots on the stellar surface of the primary star. The more massive star is the gainer, making this system a classic, albeit dwarf, Algol.« less

Application of wavelet and Fuorier transforms as powerful alternatives for derivative spectrophotometry in analysis of binary mixtures: A comparative study

NASA Astrophysics Data System (ADS)

Hassan, Said A.; Abdel-Gawad, Sherif A.

2018-02-01

Two signal processing methods, namely, Continuous Wavelet Transform (CWT) and the second was Discrete Fourier Transform (DFT) were introduced as alternatives to the classical Derivative Spectrophotometry (DS) in analysis of binary mixtures. To show the advantages of these methods, a comparative study was performed on a binary mixture of Naltrexone (NTX) and Bupropion (BUP). The methods were compared by analyzing laboratory prepared mixtures of the two drugs. By comparing performance of the three methods, it was proved that CWT and DFT methods are more efficient and advantageous in analysis of mixtures with overlapped spectra than DS. The three signal processing methods were adopted for the quantification of NTX and BUP in pure and tablet forms. The adopted methods were validated according to the ICH guideline where accuracy, precision and specificity were found to be within appropriate limits.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.

2016-04-01

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

Influence of Hydrogen Bond on Thermal and Phase Transitions of Binary Complex Liquid Crystals

NASA Astrophysics Data System (ADS)

Vijayakumar, V. N.; Rajasekaran, T. R.; Baskar, K.

2017-12-01

A novel supramolecular liquid crystal (LC) is synthesized from the binary complex of 4-decyloxy benzoic acid and cholesteryl acetate. Fourier transform infrared (FTIR) spectroscopic study confirms the formation of intermolecular hydrogen bond between the mesogens. Various mesophases and corresponding textural changes in the complex are observed by comparing with its constituents through polarizing optical microscopic (POM) studies. The thermal stability factor of smectic phase for present complex is calculated. An interesting observation of present work is that investigation of extended thermal span of mesomorphic phases, decreased enthalpy, a nematic phase with a high clearing point and a low melting point. This is due to an arrangement of molecular reorientations and the development of new associations by hydrogen bonding. Optical tilt angle for smectic C phase is determined and the same is fitted to a power law.

Clostridial Binary Toxins: Iota and C2 Family Portraits

PubMed Central

Stiles, Bradley G.; Wigelsworth, Darran J.; Popoff, Michel R.; Barth, Holger

2011-01-01

There are many pathogenic Clostridium species with diverse virulence factors that include protein toxins. Some of these bacteria, such as C. botulinum, C. difficile, C. perfringens, and C. spiroforme, cause enteric problems in animals as well as humans. These often fatal diseases can partly be attributed to binary protein toxins that follow a classic AB paradigm. Within a targeted cell, all clostridial binary toxins destroy filamentous actin via mono-ADP-ribosylation of globular actin by the A component. However, much less is known about B component binding to cell-surface receptors. These toxins share sequence homology amongst themselves and with those produced by another Gram-positive, spore-forming bacterium also commonly associated with soil and disease: Bacillus anthracis. This review focuses upon the iota and C2 families of clostridial binary toxins and includes: (1) basics of the bacterial source; (2) toxin biochemistry; (3) sophisticated cellular uptake machinery; and (4) host–cell responses following toxin-mediated disruption of the cytoskeleton. In summary, these protein toxins aid diverse enteric species within the genus Clostridium. PMID:22919577

LUT Reveals a New Mass-transferring Semi-detached Binary

NASA Astrophysics Data System (ADS)

Qian, S.-B.; Zhou, X.; Zhu, L.-Y.; Zejda, M.; Soonthornthum, B.; Zhao, E.-G.; Zhang, J.; Zhang, B.; Liao, W.-P.

2015-12-01

GQ Dra is a short-period eclipsing binary in a double stellar system that was discovered by Hipparcos. Complete light curves in the UV band were obtained with the Lunar-based Ultraviolet Telescope in 2014 November and December. Photometric solutions are determined using the W-D (Wilson and Devinney) method. It is discovered that GQ Dra is a classical Algol-type semi-detached binary where the secondary component is filling the critical Roche lobe. An analysis of all available times of minimum light suggests that the orbital period is increasing continuously at a rate of \\dot{P}=+3.48(+/- 0.23)× {10}-7 days yr-1. This could be explained by mass transfer from the secondary to the primary, which is in agreement with the semi-detached configuration with a lobe-filling secondary. By assuming a conservation of mass and angular momentum, the mass transfer rate is estimated as \\dot{m}=9.57(+/- 0.63)× {10}-8 {M}⊙ {{yr}}-1. All of these results reveal that GQ Dra is a mass-transferring semi-detached binary in a double system that was formed from an initially detached binary star. After the massive primary evolves to fill the critical Roche lobe, the mass transfer will be reversed and the binary will evolve into a contact configuration with two sub-giant or giant component stars.

Line mixing effects in isotropic Raman spectra of pure N{sub 2}: A classical trajectory study

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

Ivanov, Sergey V., E-mail: serg.vict.ivanov@gmail.com; Boulet, Christian; Buzykin, Oleg G.

2014-11-14

Line mixing effects in the Q branch of pure N{sub 2} isotropic Raman scattering are studied at room temperature using a classical trajectory method. It is the first study using an extended modified version of Gordon's classical theory of impact broadening and shift of rovibrational lines. The whole relaxation matrix is calculated using an exact 3D classical trajectory method for binary collisions of rigid N{sub 2} molecules employing the most up-to-date intermolecular potential energy surface (PES). A simple symmetrizing procedure is employed to improve off-diagonal cross-sections to make them obeying exactly the principle of detailed balance. The adequacy of themore » results is confirmed by the sum rule. The comparison is made with available experimental data as well as with benchmark fully quantum close coupling [F. Thibault, C. Boulet, and Q. Ma, J. Chem. Phys. 140, 044303 (2014)] and refined semi-classical Robert-Bonamy [C. Boulet, Q. Ma, and F. Thibault, J. Chem. Phys. 140, 084310 (2014)] results. All calculations (classical, quantum, and semi-classical) were made using the same PES. The agreement between classical and quantum relaxation matrices is excellent, opening the way to the analysis of more complex molecular systems.« less

Thermal Evaporation Loss Measurements on Quasicrystal (Ti-Zr-Ni) and Glass Forming (Vit 106 and Vit 106a) Liquids

NASA Astrophysics Data System (ADS)

Blodgett, M. E.; Gangopadhyay, A. K.; Kelton, K. F.

2015-04-01

Thermal evaporation loss measurements made using the electrostatic levitation (ESL) technique for one binary Ti-Zr, two ternary Ti-Zr-Ni, and two glass-forming (Vit 106 and Vit 106a) alloy liquids are reported. The containerless environment enables measurements not only for the equilibrium liquids but also for the metastable supercooled liquids. The data follow the Langmuir equation when the activity coefficient of the solute atoms, a measure for the deviation from the ideal solution behavior, is taken into account. An estimate for the activity coefficient of Ni in the Ti-Zr liquid is made from these data, demonstrating the effectiveness of ESL for such measurements.

Fermi Establishes Classical Novae as a Distinct Class of Gamma-ray Sources

NASA Technical Reports Server (NTRS)

Ackermann, M.; Ajello, M.; Albert, A.; Baldini, L.; Ballet, J.; Bastieri, D.; Bellazzini, R.; Bissaldi, E.; Blandford, R. D.; Bloom, E. D.;

Fermi establishes classical novae as a distinct class of gamma-ray sources

DOE PAGES

Cheung, C. C.

2014-07-31

A classical nova results from runaway thermonuclear explosions on the surface of a white dwarf that accretes matter from a low-mass main-sequence stellar companion. In 2012 and 2013, three novae were detected in γ rays and stood in contrast to the first γ-ray detected nova V407 Cygni 2010, which belongs to a rare class of symbiotic binary systems. Despite likely differences in the compositions and masses of their white dwarf progenitors, the three classical novae are similarly characterized as soft spectrum transient γ-ray sources detected over 2-3 week durations. The γ-ray detections point to unexpected high-energy particle acceleration processes linkedmore » to the mass ejection from thermonuclear explosions in an unanticipated class of Galactic γ-ray sources.« less

Development of an optical parallel logic device and a half-adder circuit for digital optical processing

NASA Technical Reports Server (NTRS)

Athale, R. A.; Lee, S. H.

1978-01-01

The paper describes the fabrication and operation of an optical parallel logic (OPAL) device which performs Boolean algebraic operations on binary images. Several logic operations on two input binary images were demonstrated using an 8 x 8 device with a CdS photoconductor and a twisted nematic liquid crystal. Two such OPAL devices can be interconnected to form a half-adder circuit which is one of the essential components of a CPU in a digital signal processor.

Phase equilibria of CFC alternative refrigerant mixtures: Binary systems of isobutane + 1,1,1,2-tetrafluoroethane, + 1,1-difluoroethane, and + difluoromethane

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

Lim, J.S.; Park, J.Y.; Lee, B.G.

1999-12-01

Isothermal vapor-liquid equilibria were measured in the binary systems 1,1,1,2-tetrafluoroethane + isobutane at 303.2 and 323.2 K, 1,1-difluoroethane + isobutane at 303.2, 313.2, 323.2, and 333.2 K, and difluoromethane + isobutane at 301.8 and 321.8 K in a circulation-type equilibrium apparatus. The experimental data were well correlated with the Peng-Robinson equation of state using the Wong and Sandler mixing rules.

Viscosity of nonelectrolyte liquid mixtures. IV. Binary mixtures containing p-Dioxane

NASA Astrophysics Data System (ADS)

Oswal, S. L.; Oswal, P.; Phalak, R. P.

1996-11-01

Measurements of the viscosity η and density p are reported for eight binary mixtures of p-dioxane with methylcyclohexane, l-chlorohexane, l-bromohexane, p-xylene, propylbenzene, methyl acetate, butyl acetate. anyl acetate at 303.15 K. The viscosity data haw been correlated with the equations of Grunbeng Nissan. of McAllister, and of Auslaendcr. The relation among the excess viscosity Δ In η, excess Gibbs energy of activation ΔG* E of viscous flow. and intermolecular interaction in these mixtures is discussed.

Instability of a solidifying binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.

1982-01-01

An analysis is performed on the stability of a solidifying binary mixture due to surface tension variation of the free liquid surface. The basic state solution is obtained numerically as a nonstationary function of time. Due to the time dependence of the basic state, the stability analysis is of the global type which utilizes a variational technique. Also due to the fact that the basic state is a complex function of both space and time, the stability analysis is performed through numerical means.

Soret motion in non-ionic binary molecular mixtures

NASA Astrophysics Data System (ADS)

Leroyer, Yves; Würger, Alois

2011-08-01

We study the Soret coefficient of binary molecular mixtures with dispersion forces. Relying on standard transport theory for liquids, we derive explicit expressions for the thermophoretic mobility and the Soret coefficient. Their sign depends on composition, the size ratio of the two species, and the ratio of Hamaker constants. Our results account for several features observed in experiment, such as a linear variation with the composition; they confirm the general rule that small molecules migrate to the warm, and large ones to the cold.

The binary system containing the classical Cepheid T Mon

NASA Technical Reports Server (NTRS)

Evans, Nancy Remage; Lyons, Ronald W.

1994-01-01

Several new results are presented for the binary system containing the 27(sup d) classical Cepheid T Mon. New radial velocities for the Cepheid have been obtained, which confirm the decreasing orbital motion at the current epoch. The spectral type of the companion (B9.8 V) has been determined from an International Ultraviolet Explorer (IUE) low resolution spectrum. An IUE high resolution spectrum has been measured to search for the velocity of the companion. A velocity signal at +36 km/s on JD 2,446,105.21 has been tentatively identified as the velocity of the companion, but confirmation of this velocity would be very valuable. Results based on this tentative identification of the velocity are that the companion does not have a high projected rotation velocity, that the companion is unlikely to be a short period binary, and that the gamma velocity of the system is between 20 and 36 km/s. The luminosity and temperature of both the Cepheid and the companion are well determined from the satellite and ground-based observations and the Cepheid PLC relation. However, the companion is above the ZAMS in the H-R diagram, which is inconsistent with the large luminosity difference between the two stars. High rotation for the companion (viewed pole-on) is a possible explanation. The lower limit to the mass function (from the lower limits to the orbital period and amplitude) requires a very high eccentricity for the system for reasonable estimates for the masses of the two stars.

Isolation and purification of diastereoisomeric flavonolignans from silymarin by binary-column recycling preparative high-performance liquid chromatography.

PubMed

Zhao, Weiquan; Yang, Guang; Zhong, Fanyi; Yang, Nan; Zhao, Xin; Qi, Yunpeng; Fan, Guorong

2014-09-01

Silymarin extracted from Silybum marianum (L.) Gaertn consists of a large number of flavonolignans, of which diastereoisomeric flavonolignans including silybin A and silybin B, and isosilybin A and isosilybin B are the main bioactive components, whose preparation from the crude extracts is still a difficult task. In this work, binary-column recycling preparative high-performance liquid chromatography systems without sample loop trapping, where two columns were switched alternately via one or two six-port switching valves, were established and successfully applied to the isolation and purification of the four diastereoisomeric flavonolignans from silymarin. The proposed system showed significant advantages over conventional preparative high-performance liquid chromatography with a single column in increasing efficiency and reducing the cost. To obtain the same amounts of products, the proposed system spends only one tenth of the time that the conventional system spends, and needs only one eleventh of the solvent that the conventional system consumes. Using the proposed system, the four diastereoisomers were successfully isolated from silymarin with purities over 98%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A model of the evaporation of binary-fuel clusters of drops

NASA Technical Reports Server (NTRS)

Harstad, K.; Bellan, J.

1991-01-01

A formulation has been developed to describe the evaporation of dense or dilute clusters of binary-fuel drops. The binary fuel is assumed to be made of a solute and a solvent whose volatility is much lower than that of the solute. Convective flow effects, inducing a circulatory motion inside the drops, are taken into account, as well as turbulence external to the cluster volume. Results obtained with this model show that, similar to the conclusions for single isolated drops, the evaporation of the volatile is controlled by liquid mass diffusion when the cluster is dilute. In contrast, when the cluster is dense, the evaporation of the volatile is controlled by surface layer stripping, that is, by the regression rate of the drop, which is in fact controlled by the evaporation rate of the solvent. These conclusions are in agreement with existing experimental observations. Parametric studies show that these conclusions remain valid with changes in ambient temperature, initial slip velocity between drops and gas, initial drop size, initial cluster size, initial liquid mass fraction of the solute, and various combinations of solvent and solute. The implications of these results for computationally intensive combustor calculations are discussed.

Generalization of the binary structural phase field crystal model

NASA Astrophysics Data System (ADS)

Smith, Nathan; Provatas, Nikolas

2017-10-01

Two improvements to the binary structural phase field crystal (XPFC) theory are presented. The first is an improvement to the phenomenology for modelling density-density correlation functions and the second extends the free energy of the mixing term in the binary XPFC model beyond ideal mixing to a regular solution model. These improvements are applied to study kinetics of precipitation from solution. We observe a two-step nucleation pathway similar to recent experimental work [N. D. Loh, S. Sen, M. Bosman, S. F. Tan, J. Zhong, C. A. Nijhuis, P. Král, P. Matsudaira, and U. Mirsaidov, Nat. Chem. 9, 77 (2017), 10.1038/nchem.2618; A. F. Wallace, L. O. Hedges, A. Fernandez-Martinez, P. Raiteri, J. D. Gale, G. A. Waychunas, S. Whitelam, J. F. Banfield, and J. J. De Yoreo, Science 341, 885 (2013), 10.1126/science.1230915] in which the liquid solution first decomposes into solute-poor and solute-rich regions, followed by precipitate nucleation of the solute-rich regions. Additionally, we find a phenomenon not previously described in the literature in which the growth of precipitates is accelerated in the presence of uncrystallized solute-rich liquid regions.

Refractive Index Mixing Rules and Excess Infrared Spectra of Binary Mixtures.

PubMed

Baranović, Goran

2017-05-01

Three refractive index mixing rules, Arago-Biot, Lorentz-Lorenz, and Newton, are generalized to complex refractive index and used to define infrared (IR) spectra of the corresponding ideal liquid mixtures. Using the measured optical constants n and k for acetonitrile-water mixtures (Bertie and Lan, 1997) the excess absorbances, A E  =  A obs  -  A ideal , are calculated. Relying upon the well-established properties of the acetonitrile-water mixtures, the interpretation of the excess absorbances is established that is essentially based on the understanding of a liquid as a set of oscillators. The set depends on the composition of the mixture and comprises oscillators as present in the pure components and oscillators perturbed by hydrogen bonding between unlike molecules. The main features of an excess spectrum can be established assuming chemical equilibria among various oscillators. The most informative parts of the spectrum of a yet unstudied binary system can well be observed and even qualitatively explained from the excess absorbance provided: first, a detailed vibrational study of the components has been done; and, second, it is well understood what actually is subtracted from A obs . As examples, the binary mixtures of ethynylbenzene and tetrachloroethylene and 2-ethynylpyridine and tetrachloroethylene are considered.

Incorporation of ionic liquid into porous polymer monoliths to enhance the separation of small molecules in reversed-phase high-performance liquid chromatography.

PubMed

Wang, Jiafei; Bai, Ligai; Wei, Zhen; Qin, Junxiao; Ma, Yamin; Liu, Haiyan

2015-06-01

An ionic liquid was incorporated into the porous polymer monoliths to afford stationary phases with enhanced chromatographic performance for small molecules in reversed-phase high-performance liquid chromatography. The effect of the ionic liquid in the polymerization mixture on the performance of the monoliths was studied in detail. While monoliths without ionic liquid exhibited poor resolution and low efficiency, the addition of ionic liquid to the polymerization mixture provides highly increased resolution and high efficiency. The chromatographic performances of the monoliths were demonstrated by the separations of various small molecules including aromatic hydrocarbons, isomers, and homologues using a binary polar mobile phase. The present column efficiency reached 27 000 plates/m, which showed that the ionic liquid monoliths are alternative stationary phases in the separation of small molecules by high-performance liquid chromatography. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Long range stress correlations in the inherent structures of liquids at rest

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

Chowdhury, Sadrul; Abraham, Sneha; Hudson, Toby

2016-03-28

Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and high viscosity in supercooled liquids. We find that the atomic shear stress in the inherent structures (IS’s) of both liquids at rest exhibits slowly decaying anisotropic correlations. We show that the stress correlations contribute significantly to the variance of the total shear stress of the IS configurations and consider the origins of the anisotropy and spatial extent of the stress correlations.

Approximate formula for recalescence in binary eutectic alloys

NASA Technical Reports Server (NTRS)

Ohsaka, K.; Trinh, E. H.

1993-01-01

Supercooling of a liquid prior to the nucleation of a solid and the subsequent rapid growth are necessary conditions for producing novel microstructures including metastable phases which are not formed by conventional solidification processes. Since containerless techniques, such as levitation and free fall of a sample, are capable of achieving a significant supercooling level of liquids, they are under consideration as possible techniques for material processing on earth and in space.

Gas-liquid phase coexistence and crossover behavior of binary ionic fluids with screened Coulomb interactions.

PubMed

Patsahan, O

2014-06-01

We study the effects of an interaction range on the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluids: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles of the same species and attractive between particles of different species. Using the collective variables theory, we find explicit expressions for the relevant coefficients of the effective φ{4} Ginzburg-Landau Hamiltonian in a one-loop approximation. Within the framework of this approximation, we calculate the critical parameters and gas-liquid phase diagrams for varying inverse screening length z. Both the critical temperature scaled by the Yukawa potential contact value and the critical density rapidly decrease with an increase of the interaction range (a decrease of z) and then for z<0.05 they slowly approach the values found for a restricted primitive model (RPM). We find that gas-liquid coexistence region reduces with an increase of z and completely vanishes at z≃2.78. Our results clearly show that an increase in the interaction range leads to a decrease of the crossover temperature. For z≃0.01, the crossover temperature is the same as for the RPM.

Validation of an All-Pressure Fluid Drop Model: Heptane Fluid Drops in Nitrogen

NASA Technical Reports Server (NTRS)

Harstad, K.; Bellan, J.; Bulzan, Daniel L. (Technical Monitor)

2000-01-01

Despite the fact that supercritical fluids occur both in nature and in industrial situations, the fundamentals of their behavior is poorly understood because supercritical fluids combine the characteristics of both liquids and gases, and therefore their behavior is not intuitive. There are several specific reasons for the lack of understanding: First, data from (mostly optical) measurements can be very misleading because regions of high density thus observed are frequently identified with liquids. A common misconception is that if in an experiment one can optically identify "drops" and "ligaments", the observed fluid must be in a liquid state. This inference is incorrect because in fact optical measurements detect any large change (i.e. gradients) in density. Thus, the density ratio may be well below Omicron(10(exp 3)) that characterizes its liquid/gas value, but the measurement will still identify a change in the index of refraction providing that the change is sudden (steep gradients). As shown by simulations of supercritical fluids, under certain conditions the density gradients may remain large during the supercritical binary fluids mixing, thus making them optically identifiable. Therefore, there is no inconsistency between the optical observation of high density regions and the fluids being in a supercritical state. A second misconception is that because a fluid has a liquid-like density, it is appropriate to model it as a liquid. However, such fluids may have liquid-like densities while their transport properties differ from those of a liquid. Considering that the critical pressure of most fuel hydrocarbons used in Diesel and gas turbine engines is in the range of 1.5 - 3 MPa, and the fact that the maximum pressure attained in these engines is about 6 Mps, it is clear that the fuel in the combustion chamber will experience both subcritical and supercritical conditions. Studies of drop behavior over a wide range of pressures were performed in the past, however none of these studies identified the crucial differences between the subcritical and supercritical behavior. In fact, in two of these studies, it was found that the subcritical and supercritical behavior is similar as the drop diameter decreased according to the classical d(exp 2)-law over a wide range of pressures and drop diameters. The present study is devoted to the exploration of differences in fluid-behavior characteristics under subcritical and supercritical conditions in the particular case of heptane fluid drops in nitrogen; these substances were selected because of the availability of experimental observations for model validation.

Direct Exoplanet Detection with Binary Differential Imaging

NASA Astrophysics Data System (ADS)

Rodigas, Timothy J.; Weinberger, Alycia; Mamajek, Eric E.; Males, Jared R.; Close, Laird M.; Morzinski, Katie; Hinz, Philip M.; Kaib, Nathan

2015-10-01

Binaries are typically excluded from direct imaging exoplanet surveys. However, the recent findings of Kepler and radial velocity programs show that planets can and do form in binary systems. Here, we suggest that visual binaries offer unique advantages for direct imaging. We show that Binary Differential Imaging (BDI), whereby two stars are imaged simultaneously at the same wavelength within the isoplanatic patch at a high Strehl ratio, offers improved point spread function (PSF) subtraction that can result in increased sensitivity to planets close to each star. We demonstrate this by observing a young visual binary separated by 4″ with MagAO/Clio-2 at 3.9 μm, where the Strehl ratio is high, the isoplanatic patch is large, and giant planets are bright. Comparing BDI to angular differential imaging (ADI), we find that BDI’s 5σ contrast is ˜0.5 mag better than ADI’s within ˜1″ for the particular binary we observed. Because planets typically reside close to their host stars, BDI is a promising technique for discovering exoplanets in stellar systems that are often ignored. BDI is also 2-4× more efficient than ADI and classical reference PSF subtraction, since planets can be detected around both the target and PSF reference simultaneously. We are currently exploiting this technique in a new MagAO survey for giant planets in 140 young nearby visual binaries. BDI on a space-based telescope would not be limited by isoplanatism effects and would therefore be an even more powerful tool for imaging and discovering planets. This paper includes data obtained at the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

Quantitative measurement of indomethacin crystallinity in indomethacin-silica gel binary system using differential scanning calorimetry and X-ray powder diffractometry.

PubMed

Pan, Xiaohong; Julian, Thomas; Augsburger, Larry

2006-02-10

Differential scanning calorimetry (DSC) and X-ray powder diffractometry (XRPD) methods were developed for the quantitative analysis of the crystallinity of indomethacin (IMC) in IMC and silica gel (SG) binary system. The DSC calibration curve exhibited better linearity than that of XRPD. No phase transformation occurred in the IMC-SG mixtures during DSC measurement. The major sources of error in DSC measurements were inhomogeneous mixing and sampling. Analyzing the amount of IMC in the mixtures using high-performance liquid chromatography (HPLC) could reduce the sampling error. DSC demonstrated greater sensitivity and had less variation in measurement than XRPD in quantifying crystalline IMC in the IMC-SG binary system.

Microwave dielectric study of polar liquids at 298 K

NASA Astrophysics Data System (ADS)

Maharolkar, Aruna P.; Murugkar, A.; Khirade, P. W.

2018-05-01

Present paper deals with study of microwave dielectric properties like dielectric constant, viscosity, density and refractive index for the binary mixtures of Dimethylsulphoxide (DMSO) and Methanol over the entire concentration range were measured at 298K. The experimental data further used to determine the excess properties viz. excess static dielectric constant, excess molar volume, excess viscosity& derived properties viz. molar refraction&Bruggman factor. The values of excess properties further fitted with Redlich-Kister (R-K Fit) equation to calculate the binary coefficients and standard deviation. The resulting excess parameters are used to indicate the presence of intermolecular interactions and strength of intermolecular interactions between the molecules in the binary mixtures. Excess parameters indicate structure breaking factor in the mixture predominates in the system.

Bioethanol production optimization: a thermodynamic analysis.

PubMed

Alvarez, Víctor H; Rivera, Elmer Ccopa; Costa, Aline C; Filho, Rubens Maciel; Wolf Maciel, Maria Regina; Aznar, Martín

2008-03-01

In this work, the phase equilibrium of binary mixtures for bioethanol production by continuous extractive process was studied. The process is composed of four interlinked units: fermentor, centrifuge, cell treatment unit, and flash vessel (ethanol-congener separation unit). A proposal for modeling the vapor-liquid equilibrium in binary mixtures found in the flash vessel has been considered. This approach uses the Predictive Soave-Redlich-Kwong equation of state, with original and modified molecular parameters. The congeners considered were acetic acid, acetaldehyde, furfural, methanol, and 1-pentanol. The results show that the introduction of new molecular parameters r and q in the UNIFAC model gives more accurate predictions for the concentration of the congener in the gas phase for binary and ternary systems.

On the Possibility of Habitable Trojan Planets in Binary Star Systems.

PubMed

Schwarz, Richard; Funk, Barbara; Bazsó, Ákos

2015-12-01

Approximately 60% of all stars in the solar neighbourhood (up to 80% in our Milky Way) are members of binary or multiple star systems. This fact led to the speculations that many more planets may exist in binary systems than are currently known. To estimate the habitability of exoplanetary systems, we have to define the so-called habitable zone (HZ). The HZ is defined as a region around a star where a planet would receive enough radiation to maintain liquid water on its surface and to be able to build a stable atmosphere. We search for new dynamical configurations-where planets may stay in stable orbits-to increase the probability to find a planet like the Earth.

Three-particle correlation functions of quasi-two-dimensional one-component and binary colloid suspensions.

PubMed

Ho, Hau My; Lin, Binhua; Rice, Stuart A

2006-11-14

We report the results of experimental determinations of the triplet correlation functions of quasi-two-dimensional one-component and binary colloid suspensions in which the colloid-colloid interaction is short ranged. The suspensions studied range in density from modestly dilute to solid. The triplet correlation function of the one-component colloid system reveals extensive ordering deep in the liquid phase. At the same density the ordering of the larger diameter component in a binary colloid system is greatly diminished by a very small amount of the smaller diameter component. The possible utilization of information contained in the triplet correlation function in the theory of melting of a quasi-two-dimensional system is briefly discussed.

Approximation methods in gravitational-radiation theory

NASA Technical Reports Server (NTRS)

Will, C. M.

1986-01-01

The observation of gravitational-radiation damping in the binary pulsar PSR 1913 + 16 and the ongoing experimental search for gravitational waves of extraterrestrial origin have made the theory of gravitational radiation an active branch of classical general relativity. In calculations of gravitational radiation, approximation methods play a crucial role. Recent developments are summarized in two areas in which approximations are important: (a) the quadrupole approxiamtion, which determines the energy flux and the radiation reaction forces in weak-field, slow-motion, source-within-the-near-zone systems such as the binary pulsar; and (b) the normal modes of oscillation of black holes, where the Wentzel-Kramers-Brillouin approximation gives accurate estimates of the complex frequencies of the modes.

Literature Review: Crud Formation at the Liquid/Liquid Interface of TBP-Based Solvent-Extraction Processes

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

Delegard, Calvin H.; Casella, Amanda J.

2016-09-30

This report summarizes the literature reviewed on crud formation at the liquid:liquid interface of solvent extraction processes. The review is focused both on classic PUREX extraction for industrial reprocessing, especially as practiced at the Hanford Site, and for those steps specific to plutonium purification that were used at the Plutonium Reclamation Facility (PRF) within the Plutonium Finishing Plant (PFP) at the Hanford Site.

A surprisingly simple correlation between the classical and quantum structural networks in liquid water

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

Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to structure, dynamics, spectroscopy and transport. Although several of water’s macroscopic properties can be reproduced by classical descriptions of the nuclei using potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required in order to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen bonded structural networks in liquid water resulting from the classical (class.) andmore » quantum (q.m.) descriptions of the nuclei with the transferable, flexible, polarizable TTM3-F interaction potential, we found that the two results can be superimposed over the temperature range of T=270-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(q.m.)=aT(class)- T , where a=1.2 and T=51 K. The linear scaling and constant shift of the temperature scale can be considered as a generalization of the previously reported temperature shifts (corresponding to structural changes and the melting T) induced by quantum effects in liquid water.« less

Ab initio calculation of the electronic absorption spectrum of liquid water

NASA Astrophysics Data System (ADS)

Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

2014-04-01

The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

Effect of atomic size on undercoolability of binary solid solution alloy liquids with Zr, Ti, and Hf using electrostatic levitation

NASA Astrophysics Data System (ADS)

Jeon, S.; Kang, D.-H.; Lee, Y. H.; Lee, S.; Lee, G. W.

2016-11-01

We investigate the relationship between the excess volume and undercoolability of Zr-Ti and Zr-Hf alloy liquids by using electrostatic levitation. Unlike in the case of Zr-Hf alloy liquids in which sizes of the constituent atoms are matched, a remarkable increase of undercoolability and negative excess volumes are observed in Zr-Ti alloy liquids as a function of their compositional ratios. In this work, size mismatch entropies for the liquids were obtained by calculating their hard sphere diameters, number densities, and packing fractions. We also show that the size mismatch entropy, which arises from the differences in atomic sizes of the constituent elements, plays an important role in determining the stabilities of metallic liquids.

Floating liquid phase in sedimenting colloid-polymer mixtures.

PubMed

Schmidt, Matthias; Dijkstra, Marjolein; Hansen, Jean-Pierre

2004-08-20

Density functional theory and computer simulation are used to investigate sedimentation equilibria of colloid-polymer mixtures within the Asakura-Oosawa-Vrij model of hard sphere colloids and ideal polymers. When the ratio of buoyant masses of the two species is comparable to the ratio of differences in density of the coexisting bulk (colloid) gas and liquid phases, a stable "floating liquid" phase is found, i.e., a thin layer of liquid sandwiched between upper and lower gas phases. The full phase diagram of the mixture under gravity shows coexistence of this floating liquid phase with a single gas phase or a phase involving liquid-gas equilibrium; the phase coexistence lines meet at a triple point. This scenario remains valid for general asymmetric binary mixtures undergoing bulk phase separation.

Liquid-liquid equilibria of binary mixtures of a lipidic ionic liquid with hydrocarbons.

PubMed

Green, Blane D; Badini, Alexander J; O'Brien, Richard A; Davis, James H; West, Kevin N

2016-01-28

Although structurally diverse, many ionic liquids (ILs) are polar in nature due to the strong coulombic forces inherent in ionic compounds. However, the overall polarity of the IL can be tuned by incorporating significant nonpolar content into one or more of the constituent ions. In this work, the binary liquid-liquid equilibria of one such IL, 1-methyl-3-(Z-octadec-9-enyl)imidazolium bistriflimide, with several hydrocarbons (n-hexane, n-octane, n-decane, cyclohexane, methylcyclohexane, 1-octene) is measured over the temperature range 0-70 °C at ambient pressure using a combination of cloud point and gravimetric techniques. The phase behavior of the systems are similar in that they exhibit two phases: one that is 60-90 mole% hydrocarbon and a second phase that is nearly pure hydrocarbon. Each phase exhibits a weak dependence of composition on temperature (steep curve) above ∼10 °C, likely due to swelling and restructuring of the nonpolar nano-domains of the IL being limited by energetically unfavorable restructuring in the polar nano-domains. The solubility of the n-alkanes decreases with increasing size (molar volume), a trend that continues for the cyclic alkanes, for which upper critical solution temperatures are observed below 70 °C. 1-Octene is found to be more soluble than n-octane, attributable to a combination of its lower molar volume and slightly higher polarity. The COSMO-RS model is used to predict the T-x'-x'' diagrams and gives good qualitative agreement of the observed trends. This work presents the highest known solubility of n-alkanes in an IL to date and tuning the structure of the ionic liquid to maximize the size/shape trends observed may provide the basis for enhanced separations of nonpolar species.

Young Binaries and Early Stellar Evolution

NASA Astrophysics Data System (ADS)

Brandner, Wolfgang

1996-07-01

Most main-sequence stars are members of binary or multiple systems. The same is true for pre-main-sequence (PMS) stars, as recent surveys have shown. Therefore studying star formation means to a large extent studying the formation of binary systems. Similarly, studying early stellar evolution primarily involves PMS binary systems. In this thesis I have studied the binary frequency among ROSAT selected T Tauri stars in the Chamaeleon T association and the Scorpius-Centaurus OB association, and the evolutionary status of Hα-selected PMS binaries in the T associations of Chamaeleon, Lupus, and ρ Ophiuchi. The direct imaging and spectroscopic observations in the optical have been carried out under subarcsec seeing conditions at the ESO New Technology Telescope (NTT) at La Silla. Furthermore, high-spatial resolution images of selected PMS stars in the near infrared were obtained with the ESO adaptive optics system COME-ON+/ADONIS. Among 195 T Tauri stars observed using direct imaging 31 binaries could be identified, 12 of them with subarcsec separation. Based on statistical arguments alone I conclude that almost all of them are indeed physical (i.e. gravitationally bound) binary or multiple systems. Using astrometric measurements of some binaries I showed that the components of these binaries are common proper motion pairs, very likely in a gravitationally bound orbit around each other. The overall binary frequency among T Tauri stars with a range of separations between 120 and 1800 AU is in agreement with the binary frequency observed among main-sequence stars in the solar neighbourhood. However, within individual regions the spatial distribution of binaries is non-uniform. In particular, in Upper Scorpius, weak-line T Tauri stars in the vicinity of early type stars seem to be almost devoid of multiple systems, whereas in another area in Upper Scorpius half of all weak-line T Tauri stars have a companion in a range of separation between 0.''7 and 3.''0. For a sample of 14 spatially resolved PMS binaries (separations 0.''6 to 1.prime'7) located in the above mentioned T associations both photometric and spectroscopic information has been analyzed. All binaries (originally unresolved) were identified as PMS stars based on their strong Hα emission and their association with dark clouds. Using the spectral A index, which measures the strength of the CaH band at 697.5nm relative to the nearby continuum as a luminosity class indicator, I showed that the classical T Tauri stars in the sample tend to be close to luminosity class V. Eight out of the 14 pairs could be placed on an H--R diagram. When comparing with theoretical PMS evolutionary tracks the individual components of all pairs appear to be coeval within the observational errors. This result is similar to Hartigan et al. (1994) who found two thirds of the wider pairs with separations from 400 AU to 6000 AU to be coeval. However, unlike Hartigan et al.'s finding for the wider pairs, I find no non-coeval pairs. One of the presumed binaries in our sample (ESO Hα 281) turned out to be a likely chance projection with the ``primary'' showing neither Hα emission nor Li absorption. Finally, using adaptive optics at the ESO 3.6m telescope, diffraction-limited JHK images of the region around the Herbig AeBe star NX Pup were obtained. The close companion (sep. 0.''128) to NX Pup -- originally discovered by HST -- was clearly resolved and its JHK magnitudes were determined. A third object at a separation of 7.''0 from NX Pup was identified as a classical T Tauri star so that NX Pup may in fact form a hierarchical triple system. I discuss the evolutionary status of these stars and derive estimates for their spectral types, luminosities, masses, and ages. My conclusions are that binarity is established very early in stellar evolution, that the orbital parameters of wide binaries (a >= 120AU) remain virtually unchanged during their PMS evolution, and that the components of the wide binaries were formed at the same time --- perhaps either through collisional fragmentation or fragmentation of rotating filaments. (Copies of the thesis (written in German) and related pre-/reprints are available from the author upon request.)

Dynamics and universal scaling law in geometrically-controlled sessile drop evaporation

PubMed Central

Sáenz, P. J.; Wray, A. W.; Che, Z.; Matar, O. K.; Valluri, P.; Kim, J.; Sefiane, K.

2017-01-01

The evaporation of a liquid drop on a solid substrate is a remarkably common phenomenon. Yet, the complexity of the underlying mechanisms has constrained previous studies to spherically symmetric configurations. Here we investigate well-defined, non-spherical evaporating drops of pure liquids and binary mixtures. We deduce a universal scaling law for the evaporation rate valid for any shape and demonstrate that more curved regions lead to preferential localized depositions in particle-laden drops. Furthermore, geometry induces well-defined flow structures within the drop that change according to the driving mechanism. In the case of binary mixtures, geometry dictates the spatial segregation of the more volatile component as it is depleted. Our results suggest that the drop geometry can be exploited to prescribe the particle deposition and evaporative dynamics of pure drops and the mixing characteristics of multicomponent drops, which may be of interest to a wide range of industrial and scientific applications. PMID:28294114

Vapor-liquid equilibria for an R134a/lubricant mixture: Measurements and equation-of-state modeling

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

Huber, M.L.; Holcomb, C.D.; Outcalt, S.L.

2000-07-01

The authors measured bubble point pressures and coexisting liquid densities for two mixtures of R-134a and a polyolester (POE) lubricant. The mass fraction of the lubricant was approximately 9% and 12%, and the temperature ranged from 280 K to 355 K. The authors used the Elliott, Suresh, and Donohue (ESD) equation of state to model the bubble point pressure data. The bubble point pressures were represented with an average absolute deviation of 2.5%. A binary interaction parameter reduced the deviation to 1.4%. The authors also applied the ESD model to other R-134a/POE lubricant data in the literature. As the concentrationmore » of the lubricant increased, the performance of the model deteriorated markedly. However, the use of a single binary interaction parameter reduced the deviations significantly.« less

Physical properties of new binary antiferroelectric liquid crystal mixtures

NASA Astrophysics Data System (ADS)

Fitas, Jakub; Jaworska-Gołąb, Teresa; Deptuch, Aleksandra; Tykarska, Marzena; Kurp, Katarzyna; Żurowska, Magdalena; Marzec, Monika

2018-02-01

Three newly prepared binary mixtures exhibiting chiral tilted smectic phases have been studied using differential scanning calorimetry, dielectric spectroscopy and electro-optic method, as well as X-ray diffraction. Broad temperature range of ferroelectric and antiferroelectric phases was detected in these mixtures and temperature dependence of spontaneous polarization, tilt angle and switching time were measured for all of them. It's occurred that all of the studied mixtures are orthoconic antiferroelectric liquid crystals. Based on the X-ray diffraction results, the temperature dependence of layer thickness in the paraelectric, ferroelectric and antiferroelectric phases was found. By using dielectric spectroscopy, Goldstone mode was identified in the ferroelectric phase, while antiphase fluctuations of azimuthal angle have been found in the antiferroelectric phase. Based on the results of the complementary methods, the transition temperatures were found as well as the order of the para-ferroelectric phase transition was determined as non-continuous one with critical parameter β equal to ca. 0.25.

Dynamics and universal scaling law in geometrically-controlled sessile drop evaporation.

PubMed

Sáenz, P J; Wray, A W; Che, Z; Matar, O K; Valluri, P; Kim, J; Sefiane, K

2017-03-15

The evaporation of a liquid drop on a solid substrate is a remarkably common phenomenon. Yet, the complexity of the underlying mechanisms has constrained previous studies to spherically symmetric configurations. Here we investigate well-defined, non-spherical evaporating drops of pure liquids and binary mixtures. We deduce a universal scaling law for the evaporation rate valid for any shape and demonstrate that more curved regions lead to preferential localized depositions in particle-laden drops. Furthermore, geometry induces well-defined flow structures within the drop that change according to the driving mechanism. In the case of binary mixtures, geometry dictates the spatial segregation of the more volatile component as it is depleted. Our results suggest that the drop geometry can be exploited to prescribe the particle deposition and evaporative dynamics of pure drops and the mixing characteristics of multicomponent drops, which may be of interest to a wide range of industrial and scientific applications.

Wetting Transitions in ^4He/^3He Mixtures on Cesium

NASA Astrophysics Data System (ADS)

Ross, David

1997-03-01

Over the last several years, helium on cesium has proven to be an ideal model system for the study of wetting and wetting transitions(E. Cheng, M.W. Cole, W.F. Saam, and J. Treiner, Phys. Rev. Lett. 67), 1007 (1991).^,(J.E. Rutledge and P. Taborek, Phys. Rev. Lett. 69), 937 (1992).^,(D. Ross, J.E. Rutledge, and P. Taborek, Phys. Rev. Lett. 76), 2350 (1996).. This presentation will focus on the adsorption of binary liquid mixtures of the helium isotopes, ^3He and ^4He, on cesium substrates over a range of temperatures extending from 0.2 K to 1.0 K. The results, spanning ^3He concentrations from 0 to 1, constitute the first experimentally constructed complete wetting phase diagram for a two component liquid at a weakly binding substrate. The wetting behavior is particularly interesting in the vicinity of bulk liquid phase separation. A wetting transition of the ^4He rich liquid between the ^3He rich liquid and the cesium substrate has been found with Tw = 0.53 K. The surface phase transition line associated with this wetting transition is found to extend to both sides of the bulk phase separation line. On the ^3He rich side it is a prewetting line, and on the ^4He rich side it becomes a line of triple point induced dewetting transitions. General arguments indicate that this behavior should be typical of a large class of binary liquid mixtures at weakly binding substrates.

AT Cnc: A SECOND DWARF NOVA WITH A CLASSICAL NOVA SHELL

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

Shara, Michael M.; Mizusawa, Trisha; Zurek, David

2012-10-20

We are systematically surveying all known and suspected Z Cam-type dwarf novae for classical nova shells. This survey is motivated by the discovery of the largest known classical nova shell, which surrounds the archetypal dwarf nova Z Camelopardalis. The Z Cam shell demonstrates that at least some dwarf novae must have undergone classical nova eruptions in the past, and that at least some classical novae become dwarf novae long after their nova thermonuclear outbursts, in accord with the hibernation scenario of cataclysmic binaries. Here we report the detection of a fragmented 'shell', 3 arcmin in diameter, surrounding the dwarf novamore » AT Cancri. This second discovery demonstrates that nova shells surrounding Z Cam-type dwarf novae cannot be very rare. The shell geometry is suggestive of bipolar, conical ejection seen nearly pole-on. A spectrum of the brightest AT Cnc shell knot is similar to that of the ejecta of the classical nova GK Per, and of Z Cam, dominated by [N II] emission. Galaxy Evolution Explorer FUV imagery reveals a similar-sized, FUV-emitting shell. We determine a distance of 460 pc to AT Cnc, and an upper limit to its ejecta mass of {approx}5 Multiplication-Sign 10{sup -5} M {sub Sun }, typical of classical novae.« less

Entanglement-assisted quantum convolutional coding

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

Wilde, Mark M.; Brun, Todd A.

2010-04-15

We show how to protect a stream of quantum information from decoherence induced by a noisy quantum communication channel. We exploit preshared entanglement and a convolutional coding structure to develop a theory of entanglement-assisted quantum convolutional coding. Our construction produces a Calderbank-Shor-Steane (CSS) entanglement-assisted quantum convolutional code from two arbitrary classical binary convolutional codes. The rate and error-correcting properties of the classical convolutional codes directly determine the corresponding properties of the resulting entanglement-assisted quantum convolutional code. We explain how to encode our CSS entanglement-assisted quantum convolutional codes starting from a stream of information qubits, ancilla qubits, and shared entangled bits.

Containerless, Low-Gravity Undercooling of Ti-Ce Alloys in the MSFC Drop Tube

NASA Technical Reports Server (NTRS)

Robinson, M. B.; Rathz, T. J.; Li, D.; Williams, G.; Workman, G.

1999-01-01

Previous tests of the classical nucleation theory as applied to liquid-liquid gap miscibility systems found a discrepancy between experiment and theory in the ability to undercool one of the liquids before the L1-L2 separation occurs. To model the initial separation process in a two-phase liquid mixture, different theoretical approaches, such as free-energy gradient and density gradient theories, have been put forth. If there is a large enough interaction between the critical liquid and the crucible, both models predict a wetting temperature (T(sub w)) above which the minority liquid perfectly wets and layers the crucible interface, but only on one side of the immiscibility dome. Materials with compositions on the other side of the dome will have simple surface adsorption by the minority liquid before bulk separation occurs when the coexistence (i.e., binoidal) line in reached. If the interaction between the critical liquid and the crucible were to decrease, T(sub w) would increase, eventually approaching the critical consolute temperature (T(sub cc)). If this situation occurs, then there could be large regions of the miscibility gap where non-perfect wetting conditions prevail resulting in droplets of L1 liquid at the surface having a non-zero contact angle. The resulting bulk structure will then depend on what happens on the surface and the subsequent processing conditions. In the past several decades, many experiments in space have been performed on liquid metal binary immiscible systems for the purpose of determining the effects that different crucibles may have on the wetting and separation process of the liquids. Potard performed experiments that showed different crucible materials could cause the majority phase to preferentially wet the container and thus produce a dispersed microstructure of the minority phase. Several other studies have been performed on immiscibles in a semi-container environment using an emulsion technique. Only one previous study was performed using completely containerless processing of immiscible metals and the results of that investigation are similar to some of the emulsion studies. In all the studies, surface wetting was attributed as the cause for the similar microstructures or the asymmetry in the ability to undercool the liquid below the binoidal on one side of the immiscibility dome. By removing the container completely from the separation process, it was proposed that the loss of the crucible/liquid interaction would produce a large shift in T(sub w) and thus change the wetting characteristics at the surface. By investigating various compositions across the miscibility gap, a change in the type and amount of liquid wetting at the surface of a containerless droplet should change the surface nucleating behavior of the droplet - whether it be the liquid-liquid wetting or the liquid-to-solid transition. Undercooling of the liquid into the metastable region should produce significant differences in the separation process and the microstructure upon solidification. In this study, we attempt to measure these transitions by monitoring the temperature of the sample by optical pyrometry. Microstructural analysis will be made to correlate with the degree of undercooling and the separation mechanisms involved.

Quantum-capacity-approaching codes for the detected-jump channel

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

Grassl, Markus; Wei Zhaohui; Ji Zhengfeng

2010-12-15

The quantum-channel capacity gives the ultimate limit for the rate at which quantum data can be reliably transmitted through a noisy quantum channel. Degradable quantum channels are among the few channels whose quantum capacities are known. Given the quantum capacity of a degradable channel, it remains challenging to find a practical coding scheme which approaches capacity. Here we discuss code designs for the detected-jump channel, a degradable channel with practical relevance describing the physics of spontaneous decay of atoms with detected photon emission. We show that this channel can be used to simulate a binary classical channel with both erasuresmore » and bit flips. The capacity of the simulated classical channel gives a lower bound on the quantum capacity of the detected-jump channel. When the jump probability is small, it almost equals the quantum capacity. Hence using a classical capacity-approaching code for the simulated classical channel yields a quantum code which approaches the quantum capacity of the detected-jump channel.« less

Moderate Deviation Analysis for Classical Communication over Quantum Channels

NASA Astrophysics Data System (ADS)

Chubb, Christopher T.; Tan, Vincent Y. F.; Tomamichel, Marco

2017-11-01

We analyse families of codes for classical data transmission over quantum channels that have both a vanishing probability of error and a code rate approaching capacity as the code length increases. To characterise the fundamental tradeoff between decoding error, code rate and code length for such codes we introduce a quantum generalisation of the moderate deviation analysis proposed by Altŭg and Wagner as well as Polyanskiy and Verdú. We derive such a tradeoff for classical-quantum (as well as image-additive) channels in terms of the channel capacity and the channel dispersion, giving further evidence that the latter quantity characterises the necessary backoff from capacity when transmitting finite blocks of classical data. To derive these results we also study asymmetric binary quantum hypothesis testing in the moderate deviations regime. Due to the central importance of the latter task, we expect that our techniques will find further applications in the analysis of other quantum information processing tasks.

Use of high pressure liquid chromatography in the study of liquid lubricant oxidation

NASA Technical Reports Server (NTRS)

Morales, W.

1982-01-01

The general principles of classical liquid chromatography and high-pressure liquid chromatography (HPLC) are reviewed, and their advantages and disadvantages are compared. Several chromatographic techniques are reviewed, and the analysis of a C-ether liquid lubricant by each technique is illustrated. An analysis by size exclusion chromatography of an ester lubricant, which had been degraded using a micro-oxidation apparatus, is illustrated to show how HPLC can be used in the study of high-temperature lubricant degradation.

Liquid Dynamics from Neutron Spectrometry

DOE R&D Accomplishments Database

Brockhouse, Bertram N.; Bergsma, J.; Dasannacharya, B. A.; Pope, N. K.

1962-10-01

Recent experiments carried out at Chalk River on the dynamics of liquids using neutron inelastic scattering are reviewed, including one by Sakamoto et al., in which the Van Hove self-correlation functions in water at 25 and 75 deg C were determined, and another in which the correlation functions in liquid argon near its triple point were studied. The possible occurrence of short wavelength phonons in classical liquids is discussed, in analogy with their existence in the quantum liquid He4, and in connection with incomplete experiments on liquid tin. (auth)

Friction on the Bond and the Vibrational Relaxation in Simple Liquids.

NASA Astrophysics Data System (ADS)

Mishra, Bimalendu Kumar

In chapter 1, the energy relaxation of a stiff Morse oscillator dissolved in a simple LJ fluid is calculated using a reversible integrator (r-RESPA) in molecular dynamics generated from the Trotter factorization of the classical propagator. We compare the "real" relaxation from full MD simulations with that predicted by the Generalized Langevin Equation (GLE) with memory friction determined from the full Molecular Dynamics for a series of fluid densities. It is found that the GLE gives very good agreement with MD for the vibrational energy relaxation for this nonlinear oscillator far from equilibrium only for high density fluids, but reduced densities rho < 0.5 the energy relaxation from the MD simulation becomes considered slower than that from the GLE. An analysis of the statistical properties of the random force shows that as the density is lowered the non-Gaussian behavior of the random force becomes more prominent. This behavior is consistent with a simple model in which the oscillator undergoes generalized Langevin dynamics between strong binary collisions with solvent atoms. In chapter 2, molecular hydrodynamics is used to calculate the memory friction on the intramolecular vibrational coordinate of a homonuclear diatomic molecule dissolved in a simple liquid. The predicted memory friction is then compared to recent computer experiments. Agreement with the experimental memory functions is obtained when the linearized hydrodynamics is modified to include gaussian viscoelasticity and compressibility. The hydrodynamic friction on the bond appears to agree qualitatively very well, although quantitative agreement is not found at high frequencies. Various limits of the hydrodynamic friction are discussed.

Hierarchical opal grating films prepared by slide coating of colloidal dispersions in binary liquid media.

PubMed

Lee, Wonmok; Kim, Seulgi; Kim, Seulki; Kim, Jin-Ho; Lee, Hyunjung

2015-02-15

There are active researches on well ordered opal films due to their possible applications to various photonic devices. A recently developed slide coating method is capable of rapid fabrication of large area opal films from aqueous colloidal dispersion. In the current study, the slide coating of polystyrene colloidal dispersions in water/i-propanol (IPA) binary media is investigated. Under high IPA content in a dispersing medium, resulting opal film showed a deterioration of long range order, as well as a decreased film thickness due to dilution effect. From the binary liquid, the dried opal films exhibited the unprecedented topological groove patterns with varying periodic distances as a function of alcohol contents in the media. The groove patterns were consisted of the hierarchical structures of the terraced opal layers with periodic thickness variations. The origin of the groove patterns was attributed to a shear-induced periodic instability of colloidal concentration within a thin channel during the coating process which was directly converted to a groove patterns in a resulting opal film due to rapid evaporation of liquid. The groove periods of opal films were in the range of 50-500 μm, and the thickness differences between peak and valley of the groove were significantly large enough to be optically distinguishable, such that the coated films can be utilized as the optical grating film to disperse infra-red light. Utilizing a lowered hydrophilicity of water/IPA dispersant, an opal film could be successfully coated on a flexible Mylar film without significant dewetting problem. Copyright © 2014 Elsevier Inc. All rights reserved.

Marangoni Effects in the Boiling of Binary Fluid Mixtures

NASA Technical Reports Server (NTRS)

Ahmed, Sayeed; Carey, Van P.; Motil, Brian

1996-01-01

Results of very recent experimental studies indicate that during nucleate boiling in some binary mixture, Marangoni effects augment the gravity driven flow of liquid towards the heated surface. With gravity present, it is impossible to separate the two effects. The reduced gravity environment gives an unique opportunity to explore th role of Marangoni effects on the boiling mechanisms free of gravitational body forces that obscure the role of such effects. However, recent experimental results suggest that under reduced gravity conditions, Marangoni effects is the dominant mechanism of vapor-liquid exchange at the surface for some binary mixture. To further explore such effects, experiments have been conducted with water/2-propanol mixtures at three different concentrations under normal gravity with different orientations of the heater surface and under reduce gravity aboard the DC-9 aircraft at NASA Lewis Research Center. The system pressure was sub atmospheric (approx. 8 kP at 1g(n)) and the bulk liquid temperature varied from low subcooling to near saturation. The molar concentrations of 2-propanol tested were 0.015, 0.025, and 0.1. Boiling curves were obtained both for high gravity (approx. 2g(n)) and reduce gravity (approx. 0.01g(n)). For each concentration of 2-propanol, the critical heat flux has been determined in the flight experiments only for reduced gravity conditions. Comparison of boiling curves and CHF obtained under l-g(n) an reduced gravity indicates that boiling mechanism in this mixtures is nearly independent of gravity. The results also indicate that the Marangoni mechanism is strong enough in these mixtures to sustain the boiling under reduced gravity conditions.

Heat Capacity Anomaly Near the Lower Critical Consolute Point of Triethylamine-Water

NASA Technical Reports Server (NTRS)

Flewelling, Anne C.; DeFonseka, Rohan J.; Khaleeli, Nikfar; Partee, J.; Jacobs, D. T.

1996-01-01

The heat capacity of the binary liquid mixture triethylamine-water has been measured near its lower critical consolute point using a scanning, adiabatic calorimeter. Two data runs are analyzed to provide heat capacity and enthalpy data that are fitted by equations with background terms and a critical term that includes correction to scaling. The critical exponent a was determined to be 0.107 +/- 0.006, consistent with theoretical predictions. When alpha was fixed at 0.11 to determine various amplitudes consistently, our values of A(+) and A(-) agreed with a previous heat capacity measurement, but the value of A(-) was inconsistent with values determined by density or refractive index measurements. While our value for the amplitude ratio A(+)/ A(-) = 0.56 +/- 0.02 was consistent with other recent experimental determinations in binary liquid mixtures, it was slightly larger than either theoretical predictions or recent experimental values in liquid-vapor systems. The correction to scaling amplitude ratio D(+)/D(-) = 0.5 +/- 0.1 was half of that predicted. As a result of several more precise theoretical calculations and experimental determinations, the two-scale-factor universality ratio X, which we found to be 0.019 +/- 0.003, now is consistent among experiments and theories. A new 'universal' amplitude ratio R(sup +/-)(sub Bcr) involving the amplitudes for the specific heat was tested. Our determination of R(sup +/-)(sub Bcr) = -0.5 +/- 0.1 and R(sup -)(sub Bcr) = 1.1 +/- 0.1 is smaller in magnitude than predicted and is the first such determination in a binary fluid mixture.

Equilibrium Fluid Interface Behavior Under Low- and Zero-Gravity Conditions. 2

NASA Technical Reports Server (NTRS)

Concus, Paul; Finn, Robert

1996-01-01

The mathematical basis for the forthcoming Angular Liquid Bridge investigation on board Mir is described. Our mathematical work is based on the classical Young-Laplace-Gauss formulation for an equilibrium free surface of liquid partly filling a container or otherwise in contact with solid support surfaces. The anticipated liquid behavior used in the apparatus design is also illustrated.

A survival tree method for the analysis of discrete event times in clinical and epidemiological studies.

PubMed

Schmid, Matthias; Küchenhoff, Helmut; Hoerauf, Achim; Tutz, Gerhard

2016-02-28

Survival trees are a popular alternative to parametric survival modeling when there are interactions between the predictor variables or when the aim is to stratify patients into prognostic subgroups. A limitation of classical survival tree methodology is that most algorithms for tree construction are designed for continuous outcome variables. Hence, classical methods might not be appropriate if failure time data are measured on a discrete time scale (as is often the case in longitudinal studies where data are collected, e.g., quarterly or yearly). To address this issue, we develop a method for discrete survival tree construction. The proposed technique is based on the result that the likelihood of a discrete survival model is equivalent to the likelihood of a regression model for binary outcome data. Hence, we modify tree construction methods for binary outcomes such that they result in optimized partitions for the estimation of discrete hazard functions. By applying the proposed method to data from a randomized trial in patients with filarial lymphedema, we demonstrate how discrete survival trees can be used to identify clinically relevant patient groups with similar survival behavior. Copyright © 2015 John Wiley & Sons, Ltd.

Liquid-vapor phase equilibria and the thermodynamic properties of 2-methylpropanol- n-alkyl propanoate solutions

NASA Astrophysics Data System (ADS)

Suntsov, Yu. K.; Goryunov, V. A.; Chuikov, A. M.; Meshcheryakov, A. V.

2016-08-01

The boiling points of solutions of five binary systems are measured via ebulliometry in the pressure range of 2.05-103.3 kPa. Equilibrium vapor phase compositions, the values of the excess Gibbs energies, enthalpies, and entropies of solution of these systems are calculated. Patterns in the changes of phase equilibria and thermodynamic properties of solutions are established, depending on the compositions and temperatures of the systems. Liquid-vapor equilibria in the systems are described using the equations of Wilson and the NRTL (Non-Random Two-Liquid Model).

Analysis and Thermodynamic Prediction of Hydrogen Solution in Solid and Liquid Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anyalebechi, P. N.

Reported experimentally determined values of hydrogen solubility in liquid and solid Al-H and Al-H-X (where X = Cu, Si, Zn, Mg, Li, Fe or Ti) systems have been critically reviewed and analyzed in terms of Wagner's interaction parameter. An attempt has been made to use Wagner's interaction parameter and statistic linear regression models derived from reported hydrogen solubility limits for binary aluminum alloys to predict the hydrogen solubility limits in liquid and solid (commercial) multicomponent aluminum alloys. Reasons for the observed poor agreement between the predicted and experimentally determined hydrogen solubility limits are discussed.

Low Mach number fluctuating hydrodynamics of multispecies liquid mixtures

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

Donev, Aleksandar, E-mail: donev@courant.nyu.edu; Bhattacharjee, Amit Kumar; Nonaka, Andy

We develop a low Mach number formulation of the hydrodynamic equations describing transport of mass and momentum in a multispecies mixture of incompressible miscible liquids at specified temperature and pressure, which generalizes our prior work on ideal mixtures of ideal gases [Balakrishnan et al., “Fluctuating hydrodynamics of multispecies nonreactive mixtures,” Phys. Rev. E 89 013017 (2014)] and binary liquid mixtures [Donev et al., “Low mach number fluctuating hydrodynamics of diffusively mixing fluids,” Commun. Appl. Math. Comput. Sci. 9(1), 47-105 (2014)]. In this formulation, we combine and extend a number of existing descriptions of multispecies transport available in the literature. Themore » formulation applies to non-ideal mixtures of arbitrary number of species, without the need to single out a “solvent” species, and includes contributions to the diffusive mass flux due to gradients of composition, temperature, and pressure. Momentum transport and advective mass transport are handled using a low Mach number approach that eliminates fast sound waves (pressure fluctuations) from the full compressible system of equations and leads to a quasi-incompressible formulation. Thermal fluctuations are included in our fluctuating hydrodynamics description following the principles of nonequilibrium thermodynamics. We extend the semi-implicit staggered-grid finite-volume numerical method developed in our prior work on binary liquid mixtures [Nonaka et al., “Low mach number fluctuating hydrodynamics of binary liquid mixtures,” http://arxiv.org/abs/1410.2300 (2015)] and use it to study the development of giant nonequilibrium concentration fluctuations in a ternary mixture subjected to a steady concentration gradient. We also numerically study the development of diffusion-driven gravitational instabilities in a ternary mixture and compare our numerical results to recent experimental measurements [Carballido-Landeira et al., “Mixed-mode instability of a miscible interface due to coupling between Rayleigh–Taylor and double-diffusive convective modes,” Phys. Fluids 25, 024107 (2013)] in a Hele-Shaw cell. We find that giant nonequilibrium fluctuations can trigger the instability but are eventually dominated by the deterministic growth of the unstable mode, in both quasi-two-dimensional (Hele-Shaw) and fully three-dimensional geometries used in typical shadowgraph experiments.« less

Higher-order differential phase shift keyed modulation

NASA Astrophysics Data System (ADS)

Vanalphen, Deborah K.; Lindsey, William C.

1994-02-01

Advanced modulation/demodulation techniques which are robust in the presence of phase and frequency uncertainties continue to be of interest to communication engineers. We are particularly interested in techniques which accommodate slow channel phase and frequency variations with minimal performance degradation and which alleviate the need for phase and frequency tracking loops in the receiver. We investigate the performance sensitivity to frequency offsets of a modulation technique known as binary Double Differential Phase Shift Keying (DDPSK) and compare it to that of classical binary Differential Phase Shift Keying (DPSK). We also generalize our analytical results to include n(sup -th) order, M-ary DPSK. The DDPSK (n = 2) technique was first introduced in the Russian literature circa 1972 and was studied more thoroughly in the late 1970's by Pent and Okunev. Here, we present an expression for the symbol error probability that is easy to derive and to evaluate numerically. We also present graphical results that establish when, as a function of signal energy-to-noise ratio and normalized frequency offset, binary DDPSK is preferable to binary DPSK with respect to performance in additive white Gaussian noise. Finally, we provide insight into the optimum receiver from a detection theory viewpoint.

Predicting the occurrence of wildfires with binary structured additive regression models.

PubMed

Ríos-Pena, Laura; Kneib, Thomas; Cadarso-Suárez, Carmen; Marey-Pérez, Manuel

2017-02-01

Wildfires are one of the main environmental problems facing societies today, and in the case of Galicia (north-west Spain), they are the main cause of forest destruction. This paper used binary structured additive regression (STAR) for modelling the occurrence of wildfires in Galicia. Binary STAR models are a recent contribution to the classical logistic regression and binary generalized additive models. Their main advantage lies in their flexibility for modelling non-linear effects, while simultaneously incorporating spatial and temporal variables directly, thereby making it possible to reveal possible relationships among the variables considered. The results showed that the occurrence of wildfires depends on many covariates which display variable behaviour across space and time, and which largely determine the likelihood of ignition of a fire. The joint possibility of working on spatial scales with a resolution of 1 × 1 km cells and mapping predictions in a colour range makes STAR models a useful tool for plotting and predicting wildfire occurrence. Lastly, it will facilitate the development of fire behaviour models, which can be invaluable when it comes to drawing up fire-prevention and firefighting plans. Copyright © 2016 Elsevier Ltd. All rights reserved.

In search of a signature of binary Kuiper Belt Objects in the Pluto-Charon crater population

NASA Astrophysics Data System (ADS)

Zangari, Amanda Marie; Parker, Alex; Singer, Kelsi N.; Stern, S. Alan; Young, Leslie; Olkin, Catherine B.; Ennico, Kimberly; Weaver, Harold A.; New Horizons Geology, Geophysics and Imaging Science Theme Team

2016-10-01

In July 2015, New Horizons flew by Pluto and Charon, allowing mapping of the encounter hemisphere at high enough resolution to produce crater counts from the surfaces of the pair. We investigate the distribution of craters in search of a signature of binary impactors. The Kuiper Belt -- especially the cold classical region -- has a large fraction of binary objects, many of which are close-in, equal-mass binaries. We will present results on how the distribution of craters seen on Pluto and Charon compares to a random distribution of single body impactors on the surfaces of each. Examining the surfaces of Pluto and Charon proves challenging due to resurfacing, and the presence of tectonic and other geographic features. For example, the informally-named Cthulhu region is among the oldest on Pluto, yet it abuts a craterless region millions of years young. On Charon, chastmata divide the surface into regions informally named Vulcan Planum and Oz terra. In our statistics, we pay careful attention to the boundaries of where craters may appear, and the dependence of our results on crater size. This work was supported by NASA's New Horizons project.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

Dahms, Rainer N.

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

Dahms, Rainer N., E-mail: Rndahms@sandia.gov

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE PAGES

Dahms, Rainer N.

2016-04-26

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

The use of ionic liquids based on choline chloride for metal deposition: A green alternative?

PubMed

Haerens, Kurt; Matthijs, Edward; Chmielarz, Andrzej; Van der Bruggen, Bart

2009-08-01

Ionic liquids are studied intensively for different applications. They tend to be denoted as "green solvents", largely because of their low vapour pressure. In recent years toxicity and biotoxicity of ionic liquids have also been investigated, which proved that not all of these are "green". In this paper the use of ionic liquids based on choline chloride and ethylene glycol in electrochemistry is discussed in the context of their use as green solvents. Due to their low toxicity and ready biodegradability, these deep eutectic solvents are promising for the electrodeposition of metals. The influence of the use of these liquids as metal deposition baths on the waste water is investigated. Drag-out was found to be the most influencing parameter on the environmental impact of the process, as it is three times higher compared to classical solutions due to the higher viscosity of the ionic liquid. There are no major changes needed in the rinsing configuration of classic electroplating plants, and ion exchange to remove the metal out of the waste water was not hindered by the presence of the ionic liquid. The formation of by-products during the deposition of metals has to be further investigated and evaluated in consideration of the environmental impact.

Structure factor of liquid alkali metals using a classical-plasma reference system

NASA Astrophysics Data System (ADS)

Pastore, G.; Tosi, M. P.

1984-06-01

This paper presents calculations of the liquid structure factor of the alkali metals near freezing, starting from the classical plasma of bare ions as reference liquid. The indirect ion-ion interaction arising from electronic screening is treated by an optimized random phase approximation (ORPA), imposing physical requirements as in the original ORPA scheme developed by Weeks, Chandler and Andersen for liquids with strongly repulsive core potentials. A comparison of the results with computer simulation data for a model of liquid rubidium shows that the present approach overcomes the well-known difficulties met in applying to these metals the standard ORPA based on a reference liquid of neutral hard spheres. The optimization scheme is also shown to be equivalent to a reduction of the range of the indirect interaction in momentum space, as proposed empirically in an earlier work. Comparison with experiment for the other alkalis shows that a good overall representation of the data can be obtained for sodium, potassium and cesium, but not for lithium, when one uses a very simple form of the electron-ion potential adjusted to the liquid compressibility. The small-angle scattering region is finally examined more carefully in the light of recent data of Waseda, with a view to possible refinements of the pseudopotential model.

Prediction of vapour-liquid and vapour-liquid-liquid equilibria of nitrogen-hydrocarbon mixtures used in J-T refrigerators

NASA Astrophysics Data System (ADS)

Narayanan, Vineed; Venkatarathnam, G.

2018-03-01

Nitrogen-hydrocarbon mixtures are widely used as refrigerants in J-T refrigerators operating with mixtures, as well as in natural gas liquefiers. The Peng-Robinson equation of state has traditionally been used to simulate the above cryogenic process. Multi parameter Helmholtz energy equations are now preferred for determining the properties of natural gas. They have, however, been used only to predict vapour-liquid equilibria, and not vapour-liquid-liquid equilibria that can occur in mixtures used in cryogenic mixed refrigerant processes. In this paper the vapour-liquid equilibrium of binary mixtures of nitrogen-methane, nitrogen-ethane, nitrogen-propane, nitrogen-isobutane and three component mixtures of nitrogen-methane-ethane and nitrogen-methane-propane have been studied with the Peng-Robinson and the Helmholtz energy equations of state of NIST REFPROP and compared with experimental data available in the literature.

The first gravitational-wave source from the isolated evolution of two stars in the 40-100 solar mass range.

PubMed

Belczynski, Krzysztof; Holz, Daniel E; Bulik, Tomasz; O'Shaughnessy, Richard

2016-06-23

The merger of two massive (about 30 solar masses) black holes has been detected in gravitational waves. This discovery validates recent predictions that massive binary black holes would constitute the first detection. Previous calculations, however, have not sampled the relevant binary-black-hole progenitors--massive, low-metallicity binary stars--with sufficient accuracy nor included sufficiently realistic physics to enable robust predictions to better than several orders of magnitude. Here we report high-precision numerical simulations of the formation of binary black holes via the evolution of isolated binary stars, providing a framework within which to interpret the first gravitational-wave source, GW150914, and to predict the properties of subsequent binary-black-hole gravitational-wave events. Our models imply that these events form in an environment in which the metallicity is less than ten per cent of solar metallicity, and involve stars with initial masses of 40-100 solar masses that interact through mass transfer and a common-envelope phase. These progenitor stars probably formed either about 2 billion years or, with a smaller probability, 11 billion years after the Big Bang. Most binary black holes form without supernova explosions, and their spins are nearly unchanged since birth, but do not have to be parallel. The classical field formation of binary black holes we propose, with low natal kicks (the velocity of the black hole at birth) and restricted common-envelope evolution, produces approximately 40 times more binary-black-holes mergers than do dynamical formation channels involving globular clusters; our predicted detection rate of these mergers is comparable to that from homogeneous evolution channels. Our calculations predict detections of about 1,000 black-hole mergers per year with total masses of 20-80 solar masses once second-generation ground-based gravitational-wave observatories reach full sensitivity.

The first gravitational-wave source from the isolated evolution of two stars in the 40-100 solar mass range

NASA Astrophysics Data System (ADS)

Belczynski, Krzysztof; Holz, Daniel E.; Bulik, Tomasz; O'Shaughnessy, Richard

2016-06-01

The merger of two massive (about 30 solar masses) black holes has been detected in gravitational waves. This discovery validates recent predictions that massive binary black holes would constitute the first detection. Previous calculations, however, have not sampled the relevant binary-black-hole progenitors—massive, low-metallicity binary stars—with sufficient accuracy nor included sufficiently realistic physics to enable robust predictions to better than several orders of magnitude. Here we report high-precision numerical simulations of the formation of binary black holes via the evolution of isolated binary stars, providing a framework within which to interpret the first gravitational-wave source, GW150914, and to predict the properties of subsequent binary-black-hole gravitational-wave events. Our models imply that these events form in an environment in which the metallicity is less than ten per cent of solar metallicity, and involve stars with initial masses of 40-100 solar masses that interact through mass transfer and a common-envelope phase. These progenitor stars probably formed either about 2 billion years or, with a smaller probability, 11 billion years after the Big Bang. Most binary black holes form without supernova explosions, and their spins are nearly unchanged since birth, but do not have to be parallel. The classical field formation of binary black holes we propose, with low natal kicks (the velocity of the black hole at birth) and restricted common-envelope evolution, produces approximately 40 times more binary-black-holes mergers than do dynamical formation channels involving globular clusters; our predicted detection rate of these mergers is comparable to that from homogeneous evolution channels. Our calculations predict detections of about 1,000 black-hole mergers per year with total masses of 20-80 solar masses once second-generation ground-based gravitational-wave observatories reach full sensitivity.

Modeling of Shock Waves with Multiple Phase Transitions in Condensed Materials

NASA Astrophysics Data System (ADS)

Missonnier, Marc; Heuzé, Olivier

2006-07-01

When a shock wave crosses a solid material and subjects it to solid-solid or solid-liquid phase transition, related phenomena occur: shock splitting, and the corresponding released shock wave after reflection. Modelling of these phenomena raises physical and numerical issues. After shock loading, such materials can reach different kinds of states: single-phase states, binary-phase states, and triple points. The thermodynamic path can be studied and easily understood in the (V,E) or (V,S) planes. In the case of 3 phase tin (β,γ, and liquid) submitted to shock waves, seven states can occur: β,γ, liquid, β-γ, β-liquid, γ-liquid, and β-γ-liquid. After studying the thermodynamic properties with a complete 3-phase Equation of State, we show the existence of these seven states with a hydrodynamic simulation.

Aberration-free superresolution imaging via binary speckle pattern encoding and processing

NASA Astrophysics Data System (ADS)

Ben-Eliezer, Eyal; Marom, Emanuel

2007-04-01

We present an approach that provides superresolution beyond the classical limit as well as image restoration in the presence of aberrations; in particular, the ability to obtain superresolution while extending the depth of field (DOF) simultaneously is tested experimentally. It is based on an approach, recently proposed, shown to increase the resolution significantly for in-focus images by speckle encoding and decoding. In our approach, an object multiplied by a fine binary speckle pattern may be located anywhere along an extended DOF region. Since the exact magnification is not known in the presence of defocus aberration, the acquired low-resolution image is electronically processed via a parallel-branch decoding scheme, where in each branch the image is multiplied by the same high-resolution synchronized time-varying binary speckle but with different magnification. Finally, a hard-decision algorithm chooses the branch that provides the highest-resolution output image, thus achieving insensitivity to aberrations as well as DOF variations. Simulation as well as experimental results are presented, exhibiting significant resolution improvement factors.

Adsorption of Zn(II) and Cd(II) ions in batch system by using the Eichhornia crassipes.

PubMed

Módenes, A N; Espinoza-Quiñones, F R; Borba, C E; Trigueros, D E G; Lavarda, F L; Abugderah, M M; Kroumov, A D

2011-01-01

In this work, the displacement effects on the sorption capacities of zinc and cadmium ions of the Eichornia crassipes-type biosorbent in batch binary system has been studied. Preliminary single metal sorption experiments were carried out. An improvement on the Zn(II) and Cd(II) ions removal was achieved by working at 30 °C temperature and with non-uniform biosorbent grain sizes. A 60 min equilibrium time was achieved for both Zn(II) and Cd(II) ions. Furthermore, it was found that the overall kinetic data were best described by the pseudo second-order kinetic model. Classical multi-component adsorption isotherms have been tested as well as a modified extended Langmuir isotherm model, showing good agreement with the equilibrium binary data. Around 0.65 mequiv./g maximum metal uptake associated with the E. crassipes biosorbent was attained and the E. crassipes biosorbent has shown higher adsorption affinity for the zinc ions than for the cadmium ones in the binary system.

The expected spins of gravitational wave sources with isolated field binary progenitors

NASA Astrophysics Data System (ADS)

Zaldarriaga, Matias; Kushnir, Doron; Kollmeier, Juna A.

2018-01-01

We explore the consequences of dynamical evolution of field binaries composed of a primary black hole (BH) and a Wolf-Rayet (WR) star in the context of gravitational wave (GW) source progenitors. We argue, from general considerations, that the spin of the WR-descendent BH will be maximal in a significant number of cases due to dynamical effects. In other cases, the spin should reflect the natal spin of the primary BH which is currently theoretically unconstrained. We argue that the three currently published LIGO systems (GW150914, GW151226, LVT151012) suggest that this spin is small. The resultant effective spin distribution of gravitational wave sources should thus be bi-model if this classic GW progenitor channel is indeed dominant. While this is consistent with the LIGO detections thus far, it is in contrast to the three best-measured high-mass X-ray binary (HMXB) systems. A comparison of the spin distribution of HMXBs and GW sources should ultimately reveal whether or not these systems arise from similar astrophysical channels.

Fast large-scale object retrieval with binary quantization

NASA Astrophysics Data System (ADS)

Zhou, Shifu; Zeng, Dan; Shen, Wei; Zhang, Zhijiang; Tian, Qi

2015-11-01

The objective of large-scale object retrieval systems is to search for images that contain the target object in an image database. Where state-of-the-art approaches rely on global image representations to conduct searches, we consider many boxes per image as candidates to search locally in a picture. In this paper, a feature quantization algorithm called binary quantization is proposed. In binary quantization, a scale-invariant feature transform (SIFT) feature is quantized into a descriptive and discriminative bit-vector, which allows itself to adapt to the classic inverted file structure for box indexing. The inverted file, which stores the bit-vector and box ID where the SIFT feature is located inside, is compact and can be loaded into the main memory for efficient box indexing. We evaluate our approach on available object retrieval datasets. Experimental results demonstrate that the proposed approach is fast and achieves excellent search quality. Therefore, the proposed approach is an improvement over state-of-the-art approaches for object retrieval.

Shear viscosity of binary mixtures: The Gay-Berne potential

NASA Astrophysics Data System (ADS)

Khordad, R.

2012-05-01

The Gay-Berne (GB) potential model is an interesting and useful model to study the real systems. Using the potential model, we intend to examine the thermodynamical properties of some anisotropic binary mixtures in two different phases, liquid and gas. For this purpose, we apply the integral equation method and solve numerically the Percus-Yevick (PY) integral equation. Then, we obtain the expansion coefficients of correlation functions to calculate the thermodynamical properties. Finally, we compare our results with the available experimental data [e.g., HFC-125 + propane, R-125/143a, methanol + toluene, benzene + methanol, cyclohexane + ethanol, benzene + ethanol, carbon tetrachloride + ethyl acetate, and methanol + ethanol]. The results show that the GB potential model is capable for predicting the thermodynamical properties of binary mixtures with acceptable accuracy.

Viscosities of nonelectrolyte liquid mixtures. II. Binary and quaternary systems of some n-alkanes

NASA Astrophysics Data System (ADS)

Wakefield, D. L.; Marsh, K. N.; Zwolinski, B. J.

1988-01-01

This paper is the second in a series of viscosity and density studies on multicomponent mixtures of n-alkanes from 303 to 338 K. Reported here are the results of binary mixtures of n-tetracosane + n-octane as well as quaternary mixtures of n-tetracosane + n-octane + n-decane + n-hexane at 318.16, 328.16, and 338.16 K. Viscosities were determined using a standard U-tube Ostwald viscometer, and densities were determined using a flask-type pycnometer. Empirical relations tested include the Grunberg and Nissan equation and the method of corresponding states. In addition, comparisons were made regarding the behavior of this quaternary system and homologous binary mixtures of n-hexadecane + n-octane and n-tetracosane + n-octane at the same temperatures.

Enthalpies of mixing of liquid systems for lead free soldering: Al-Cu-Sn system.

PubMed

Flandorfer, Hans; Rechchach, Meryem; Elmahfoudi, A; Bencze, László; Popovič, Arkadij; Ipser, Herbert

2011-11-01

The present work refers to high-temperature drop calorimetric measurements on liquid Al-Cu, Al-Sn, and Al-Cu-Sn alloys. The binary systems have been investigated at 973 K, up to 40 at.% Cu in case of Al-Cu, and over the entire concentrational range in case of Al-Sn. Measurements in the ternary Al-Cu-Sn system were performed along the following cross-sections: x(Al)/x(Cu) = 1:1, x(Al)/x(Sn) = 1:1, x(Cu)/x(Sn) = 7:3, x(Cu)/x(Sn) = 1:1, and x(Cu)/x(Sn) = 3:7 at 1273 K. Experimental data were used to find ternary interaction parameters by applying the Redlich-Kister-Muggianu model for substitutional solutions, and a full set of parameters describing the concentration dependence of the enthalpy of mixing was derived. From these, the isoenthalpy curves were constructed for 1273 K. The ternary system shows an exothermic enthalpy minimum of approx. -18,000 J/mol in the Al-Cu binary and a maximum of approx. 4000 J/mol in the Al-Sn binary system. The Al-Cu-Sn system is characterized by considerable repulsive ternary interactions as shown by the positive ternary interaction parameters.

Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures

NASA Astrophysics Data System (ADS)

Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-04-01

The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations, the viscous KA system crystallizes, however, by phase separating into a pure A particle phase forming a fcc crystal. We present the thermodynamic phase diagram for KA-type mixtures consisting of up to 50% small (B ) particles showing, in particular, that the melting temperature of the standard KA system at liquid density 1.2 is 1.028(3) in A particle Lennard-Jones units. At large B particle concentrations, the system crystallizes into the CsCl crystal structure. The eutectic corresponding to the fcc and CsCl structures is cutoff in a narrow interval of B particle concentrations around 26% at which the bipyramidal orthorhombic PuBr3 structure is the thermodynamically stable phase. The melting temperature's variation with B particle concentration at two constant pressures, as well as at the constant density 1.2, is estimated from simulations at pressure 10.19 using isomorph theory. Our data demonstrate approximate identity between the melting temperature and the onset temperature below which viscous dynamics appears. Finally, the nature of the solid-liquid interface is briefly discussed.

Theoretical analysis of the axial growth of nanowires starting with a binary eutectic droplet via vapor-liquid-solid mechanism

NASA Astrophysics Data System (ADS)

Liu, Qing; Li, Hejun; Zhang, Yulei; Zhao, Zhigang

2018-06-01

A series of theoretical analysis is carried out for the axial vapor-liquid-solid (VLS) growth of nanowires starting with a binary eutectic droplet. The growth model considering the entire process of axial VLS growth is a development of the approaches already developed by previous studies. In this model, the steady and unsteady state growth are considered both. The amount of solute species in a variable liquid droplet, the nanowire length, radius, growth rate and all other parameters during the entire axial growth process are treated as functions of growth time. The model provides theoretical predictions for the formation of nanowire shape, the length-radius and growth rate-radius dependences. It is also suggested by the model that the initial growth of single nanowire is significantly affected by Gibbs-Thompson effect due to the shape change. The model was applied on predictions of available experimental data of Si and Ge nanowires grown from Au-Si and Au-Ge systems respectively reported by other works. The calculations with the proposed model are in satisfactory agreement with the experimental results of the previous works.

Buoyancy-Marangoni convection in confined volatile binary fluids subject to a horizontal temperature gradient

NASA Astrophysics Data System (ADS)

Qin, Tongran; Grigoriev, Roman

2017-11-01

We consider convection in a layer of binary fluid with free surface subject to a horizontal temperature gradient in the presence of noncondensable gases, which is driven by a combination of three different forces: buoyancy, thermocapillarity, and solutocapillarity. Unlike buoyancy, both thermo- and solutocapillary stresses depend sensitively on the local phase equilibrium at the liquid-gas interface. In particular, thermocapillarity associated with the interfacial temperature gradient is controlled by the vapors' concentration along the interface, and solutocapillarity associated with the interfacial concentration gradient is controlled by differential phase change of two components of the liquid, which is strongly influenced by the presence of noncondensables. Therefore, flows in both phases, phase change, and effect of noncondensables all have to be considered. Numerical simulations based on a comprehensive model taking these effects into account show qualitative agreement with recent experiments which identified a number of flow regimes at various compositions of both phases. In particular,we find that the composition of both the gas and liquid phase have a significant effect on the observed convection patterns; this dependence can be understood using a simple analytical model. This material is based upon work supported by the National Science Foundation under Grant No. 1511470.

A cellular automaton - finite volume method for the simulation of dendritic and eutectic growth in binary alloys using an adaptive mesh refinement

NASA Astrophysics Data System (ADS)

Dobravec, Tadej; Mavrič, Boštjan; Šarler, Božidar

2017-11-01

A two-dimensional model to simulate the dendritic and eutectic growth in binary alloys is developed. A cellular automaton method is adopted to track the movement of the solid-liquid interface. The diffusion equation is solved in the solid and liquid phases by using an explicit finite volume method. The computational domain is divided into square cells that can be hierarchically refined or coarsened using an adaptive mesh based on the quadtree algorithm. Such a mesh refines the regions of the domain near the solid-liquid interface, where the highest concentration gradients are observed. In the regions where the lowest concentration gradients are observed the cells are coarsened. The originality of the work is in the novel, adaptive approach to the efficient and accurate solution of the posed multiscale problem. The model is verified and assessed by comparison with the analytical results of the Lipton-Glicksman-Kurz model for the steady growth of a dendrite tip and the Jackson-Hunt model for regular eutectic growth. Several examples of typical microstructures are simulated and the features of the method as well as further developments are discussed.

The Computer Simulation of Liquids by Molecular Dynamics.

ERIC Educational Resources Information Center

Smith, W.

1987-01-01

Proposes a mathematical computer model for the behavior of liquids using the classical dynamic principles of Sir Isaac Newton and the molecular dynamics method invented by other scientists. Concludes that other applications will be successful using supercomputers to go beyond simple Newtonian physics. (CW)

Molecular Dynamics Simulations of Simple Liquids

ERIC Educational Resources Information Center

Speer, Owner F.; Wengerter, Brian C.; Taylor, Ramona S.

2004-01-01

An experiment, in which students were given the opportunity to perform molecular dynamics simulations on a series of molecular liquids using the Amber suite of programs, is presented. They were introduced to both physical theories underlying classical mechanics simulations and to the atom-atom pair distribution function.

Translational, rotational and vibrational relaxation dynamics of a solute molecule in a non-interacting solvent.

PubMed

Grubb, Michael P; Coulter, Philip M; Marroux, Hugo J B; Hornung, Balazs; McMullen, Ryan S; Orr-Ewing, Andrew J; Ashfold, Michael N R

2016-11-01

Spectroscopically observing the translational and rotational motion of solute molecules in liquid solutions is typically impeded by their interactions with the solvent, which conceal spectral detail through linewidth broadening. Here we show that unique insights into solute dynamics can be made with perfluorinated solvents, which interact weakly with solutes and provide a simplified liquid environment that helps to bridge the gap in our understanding of gas- and liquid-phase dynamics. Specifically, we show that in such solvents, the translational and rotational cooling of an energetic CN radical can be observed directly using ultrafast transient absorption spectroscopy. We observe that translational-energy dissipation within these liquids can be modelled through a series of classic collisions, whereas classically simulated rotational-energy dissipation is shown to be distinctly faster than experimentally measured. We also observe the onset of rotational hindering from nearby solvent molecules, which arises as the average rotational energy of the solute falls below the effective barrier to rotation induced by the solvent.

Ab initio calculation of the electronic absorption spectrum of liquid water

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

Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa, E-mail: ben@cii.fc.ul.pt

2014-04-28

The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are inmore » good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.« less

Study of the liquid vapor equilibrium in the bromine-hydrobromic acid-water system

NASA Technical Reports Server (NTRS)

Benizri, R.; Lessart, P.; Courvoisier, P.

1984-01-01

A glass ebullioscope was built and at atmospheric pressure, liquid-vapor equilibria relative to the Br2-HBr-H2O system, in the concentration range of interest for evaluation of the Mark 13 cycle was studied. Measurements were performed for the brome-azeotrope (HBr-H2O) pseudo-binary system and for the ternary system at temperatures lower than 125 C and in the bromine concentration range up to 13% wt.

Analysis of consecutively sampled headspace and liquid fractions by gas chromatography/mass spectrometry.

PubMed

Treble, Ronald G; Johnson, Keith E; Xiao, Li; Thompson, Thomas S

2002-07-01

An existing gas chromatograph/mass spectrometer (GC/MS) can be used to analyze gas and liquid fractions from the same system within a few minutes. The technique was applied to (a) separate and identify the gaseous components of the products of cracking an alkane, (b) measure trace levels of acetone in ethyl acetate, (c) determine the relative partial pressures over a binary mixture, and (d) identify nine unknown compounds for the purpose of disposal.

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

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

Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio

Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impactmore » on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.« less

Perfluoro anion based binary and ternary ionic liquids as electrolytes for dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Lin, Hsi-Hsin; Peng, Jia-De; Suryanarayanan, V.; Velayutham, D.; Ho, Kuo-Chuan

2016-04-01

In this work, eight new ionic liquids (ILs) based on triethylammonium (TEA) or n-methylpiperidinium (NMP) cations and perfluoro carboxylate (PFC) anions having different carbon chain lengths are synthesized and their physico-chemical properties such as density, decomposition temperature, viscosity and conductivity are determined. Photovoltaic characteristics of dye-sensitized solar cells (DSSCs) with binary ionic liquids electrolytes, containing the mixture of the synthesized ILs and 1-methyl-3-propyl imidazolium iodide (PMII) (v/v = 35/65), are evaluated. Among the different ILs, solar cells containing NMP based ILs show higher VOC than that of TEA, whereas, higher JSC is noted for the DSSCs incorporated with the latter when compared to the former. Further, the photo-current of the DSSCs decreases with the increase of the carbon chain length of perfluoro carboxylate anionic group of ILs. The cell performance of the DSSC containing ternary ionic liquids-based electrolytes compose of NMP-2C/TEA-2C/PMII (v/v/v = 28/7/65) exhibits a JSC of 12.99 mA cm-2, a VOC of 639.0 mV, a FF of 0.72, and a cell efficiency of 6.01%. The extraordinary durability of the DSSC containing the above combination of electrolytes stored in dark at 50 °C is proved to be unfailing up to 1200 h.

Melting Experiments in the Fe-FeSi System at High Pressure

NASA Astrophysics Data System (ADS)

Ozawa, H.; Hirose, K.

2013-12-01

The principal light element in the Earth's core must reproduce the density jump at the inner core boundary (ICB). Silicon is thought to be a plausible light element in the core, and the melting phase relations in Fe-FeSi binary system at the ICB pressure are of great importance. Theoretical calculations on the Fe-FeSi binary system suggested that the difference in Si content between the outer core and the inner core would be too small to satisfy the observed density jump at the ICB [Alfè et al., 2002 EPSL], which requires other light elements in addition to silicon. Here we experimentally examined partitioning of silicon between liquid and solid iron up to 97 GPa. High pressure and temperature conditions were generated in a laser-heated diamond-anvil cell. Chemical compositions of co-existing quenched liquid and solid Fe-Si alloys were determined with a field-emission-type electron probe micro-analyzer. We used Fe-Si alloy containing 9 wt% Si as a starting material. Chemical analyses on the recovered samples from 39 and 49 GPa demonstrated the coexistence of quenched Si-depleted liquid and Si-enriched solid. In contrast, silicon partitions preferentially into liquid metal at 97 GPa, suggesting the starting composition (Fe-9wt% Si) lies on the iron-rich part of the eutectic. These results indicate the eutectic composition shifts toward FeSi between 49 and 97 GPa.

DETECTABILITY OF EARTH-LIKE PLANETS IN CIRCUMSTELLAR HABITABLE ZONES OF BINARY STAR SYSTEMS WITH SUN-LIKE COMPONENTS

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

Eggl, Siegfried; Pilat-Lohinger, Elke; Haghighipour, Nader, E-mail: siegfried.eggl@univie.ac.at

2013-02-20

Given the considerable percentage of stars that are members of binaries or stellar multiples in the solar neighborhood, it is expected that many of these binaries host planets, possibly even habitable ones. The discovery of a terrestrial planet in the {alpha} Centauri system supports this notion. Due to the potentially strong gravitational interaction that an Earth-like planet may experience in such systems, classical approaches to determining habitable zones (HZ), especially in close S-type binary systems, can be rather inaccurate. Recent progress in this field, however, allows us to identify regions around the star permitting permanent habitability. While the discovery ofmore » {alpha} Cen Bb has shown that terrestrial planets can be detected in solar-type binary stars using current observational facilities, it remains to be shown whether this is also the case for Earth analogs in HZs. We provide analytical expressions for the maximum and rms values of radial velocity and astrometric signals, as well as transit probabilities of terrestrial planets in such systems, showing that the dynamical interaction of the second star with the planet may indeed facilitate the planets' detection. As an example, we discuss the detectability of additional Earth-like planets in the averaged, extended, and permanent HZs around both stars of the {alpha} Centauri system.« less

Photometric studies of two solar type marginal contact binaries in the Small Magellanic Cloud

NASA Astrophysics Data System (ADS)

Shanti Priya, Devarapalli; Rukmini, Jagirdar

2018-04-01

Using the Optical Gravitational Lensing Experiment catalogue, two contact binaries were studied using data in the V and I bands. The photometric solutions for the V and I bands are presented for two contact binaries OGLE 003835.24-735413.2 (V1) and OGLE 004619.65-725056.2 (V2) in Small Maglellanic Cloud. The presented light curves are analyzed using the Wilson-Devinney code. The results show that the variables are in good thermal and marginal geometrical contact with features like the O’Connell effect in V1. The absolute dimensions are estimated and its dynamical evolution is inferred. They tend to be solar type marginal contact binaries. The 3.6-m Devasthal Optical Telescope and the 4.0-m International Liquid Mirror Telescope of the Aryabhatta Research Institute of Observational Sciences (ARIES, Nainithal) can facilitate the continuous monitoring of such kind of objects which will help in finding the reasons behind their period changes and their impact on the evolution of the clusters.

Investigation of focusing and correcting aberrations with binary amplitude and polarization modulation

DOE PAGES

Fiala, Peter; Li, Yunqi; Dorrer, Christophe

2018-01-29

Here, we investigate the focusing and correcting wavefront aberration of an optical wave using binary amplitude and polarization modulation. Focusing is performed by selectively modulating the field in different zones of the pupil to obtain on-axis constructive interference at a given distance. The conventional Soret zone plate (binary amplitude profile) is expanded to a polarization Soret zone plate with twice the focusing efficiency. Binary pixelated devices that approximate the sinusoidal transmission profile of a Gabor zone plate by spatial dithering are also investigated with amplitude and polarization modulation. Wavefront aberrations are corrected by modulation of the field in the pupilmore » plane to prevent destructive interference in the focal plane of an ideal focusing element. Polarization modulation improves the efficiency obtained by amplitude-only modulation, with a gain that depends on the aberration. Experimental results obtained with Cr-on-glass devices for amplitude modulation and liquid crystal devices operating in the Mauguin condition for polarization modulation are in very good agreement with simulations.« less

Investigation of focusing and correcting aberrations with binary amplitude and polarization modulation

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

Fiala, Peter; Li, Yunqi; Dorrer, Christophe

Here, we investigate the focusing and correcting wavefront aberration of an optical wave using binary amplitude and polarization modulation. Focusing is performed by selectively modulating the field in different zones of the pupil to obtain on-axis constructive interference at a given distance. The conventional Soret zone plate (binary amplitude profile) is expanded to a polarization Soret zone plate with twice the focusing efficiency. Binary pixelated devices that approximate the sinusoidal transmission profile of a Gabor zone plate by spatial dithering are also investigated with amplitude and polarization modulation. Wavefront aberrations are corrected by modulation of the field in the pupilmore » plane to prevent destructive interference in the focal plane of an ideal focusing element. Polarization modulation improves the efficiency obtained by amplitude-only modulation, with a gain that depends on the aberration. Experimental results obtained with Cr-on-glass devices for amplitude modulation and liquid crystal devices operating in the Mauguin condition for polarization modulation are in very good agreement with simulations.« less

A catalogue of chromospherically active binary stars (third edition)

NASA Astrophysics Data System (ADS)

Eker, Z.; Ak, N. Filiz; Bilir, S.; Doǧru, D.; Tüysüz, M.; Soydugan, E.; Bakış, H.; Uǧraş, B.; Soydugan, F.; Erdem, A.; Demircan, O.

2008-10-01

The catalogue of chromospherically active binaries (CABs) has been revised and updated. With 203 new identifications, the number of CAB stars is increased to 409. The catalogue is available in electronic format where each system has a number of lines (suborders) with a unique order number. The columns contain data of limited numbers of selected cross references, comments to explain peculiarities and the position of the binarity in case it belongs to a multiple system, classical identifications (RS Canum Venaticorum, BY Draconis), brightness and colours, photometric and spectroscopic data, a description of emission features (CaII H and K, Hα, ultraviolet, infrared), X-ray luminosity, radio flux, physical quantities and orbital information, where each basic entry is referenced so users can go to the original sources.

VizieR Online Data Catalog: Chromospherically Active Binaries. Third version (Eker+, 2008)

NASA Astrophysics Data System (ADS)

Eker, Z.; Filiz-Ak, N.; Bilir, S.; Dogru, D.; Tuysuz, M.; Soydugan, E.; Bakis, H.; Ugras, B.; Soydugan, F.; Erdem, A.; Demircan, O.

2008-06-01

Chromospherically Active Binaries (CAB) catalogue have been revised and updated. With 203 new identifications, the number of CAB stars is increased to 409. Catalogue is available in electronic format where each system has various number of lines (sub-orders) with a unique order number. Columns contain data of limited number of selected cross references, comments to explain peculiarities and position of the binarity in case it belongs to a multiple system, classical identifications (RS CVn, BY Dra), brightness and colours, photometric and spectroscopic data, description of emission features (Ca II H&K, Hα, UV, IR), X-Ray luminosity, radio flux, physical quantities and orbital information, where each basic entry are referenced so users can go original sources. (10 data files).

The confrontation between general relativity and experiment

NASA Technical Reports Server (NTRS)

Will, C. M.

1980-01-01

Experiments that test the foundations of gravitation theory in terms of the Einstein equivalence principle are discussed along with solar system tests of general relativity at the post-Newtonian level. These include classical (light-deflection, time delay and perihelion shift) tests as well as tests of the strong equivalence principle. The binary pulsar is discussed as an extra-solar-system gravitational testing ground, and attention is given to the multipolarity of the waves and the amount of radiation damping. The mass function, periastron shift, redshift-Doppler parameter and rate of change of the orbit period (Pb) of the binary pulsar are also considered, and it is suggested that the measurement of Pb represents the first observation of the effects of gravitational radiation.

Essentializing the binary self: individualism and collectivism in cultural neuroscience.

PubMed

Martínez Mateo, M; Cabanis, M; Stenmanns, J; Krach, S

2013-01-01

Within the emerging field of cultural neuroscience (CN) one branch of research focuses on the neural underpinnings of "individualistic/Western" vs. "collectivistic/Eastern" self-views. These studies uncritically adopt essentialist assumptions from classic cross-cultural research, mainly following the tradition of Markus and Kitayama (1991), into the domain of functional neuroimaging. In this perspective article we analyze recent publications and conference proceedings of the 18th Annual Meeting of the Organization for Human Brain Mapping (2012) and problematize the essentialist and simplistic understanding of "culture" in these studies. Further, we argue against the binary structure of the drawn "cultural" comparisons and their underlying Eurocentrism. Finally we scrutinize whether valuations within the constructed binarities bear the risk of constructing and reproducing a postcolonial, orientalist argumentation pattern.

Nominal vs. actual supersaturation of solutions

NASA Astrophysics Data System (ADS)

Borisenko, Alexander

2018-03-01

Following the formalism of the Classical Nucleation Theory beyond the dilute solution approximation, this paper considers a difference between the actual solute supersaturation (given by the present-to-saturated solute activity ratio) and the nominal supersaturation (given by the present-to-saturated solute concentration ratio) due to formation of subcritical transient solute clusters, called heterophase fluctuations. Based on their distribution function, we introduce an algebraic equation of supersaturation that couples the nominal supersaturation of a binary metastable solution with its actual supersaturation and a function of the specific interface energy and temperature. The applicability of this approach is validated by comparison to simulation data [(Clouet et al., Phys. Rev. B 69, 064109 (2004)] on nucleation of Al3Zr and Al3Sc in model binary Al alloys.

QSPIN: A High Level Java API for Quantum Computing Experimentation

NASA Technical Reports Server (NTRS)

Barth, Tim

2017-01-01

QSPIN is a high level Java language API for experimentation in QC models used in the calculation of Ising spin glass ground states and related quadratic unconstrained binary optimization (QUBO) problems. The Java API is intended to facilitate research in advanced QC algorithms such as hybrid quantum-classical solvers, automatic selection of constraint and optimization parameters, and techniques for the correction and mitigation of model and solution errors. QSPIN includes high level solver objects tailored to the D-Wave quantum annealing architecture that implement hybrid quantum-classical algorithms [Booth et al.] for solving large problems on small quantum devices, elimination of variables via roof duality, and classical computing optimization methods such as GPU accelerated simulated annealing and tabu search for comparison. A test suite of documented NP-complete applications ranging from graph coloring, covering, and partitioning to integer programming and scheduling are provided to demonstrate current capabilities.

Recent developments in biocatalysis in multiphasic ionic liquid reaction systems.

PubMed

Meyer, Lars-Erik; von Langermann, Jan; Kragl, Udo

2018-06-01

Ionic liquids are well known and frequently used 'designer solvents' for biocatalytic reactions. This review highlights recent achievements in the field of multiphasic ionic liquid-based reaction concepts. It covers classical biphasic systems including supported ionic liquid phases, thermo-regulated multi-component solvent systems (TMS) and polymerized ionic liquids. These powerful concepts combine unique reaction conditions with a high potential for future applications on a laboratory and industrial scale. The presence of a multiphasic system simplifies downstream processing due to the distribution of the catalyst and reactants in different phases.

On the transition between two-phase and single-phase interface dynamics in multicomponent fluids at supercritical pressures

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.; Oefelein, Joseph C.

2013-09-01

A theory that explains the operating pressures where liquid injection processes transition from exhibiting classical two-phase spray atomization phenomena to single-phase diffusion-dominated mixing is presented. Imaging from a variety of experiments have long shown that under certain conditions, typically when the pressure of the working fluid exceeds the thermodynamic critical pressure of the liquid phase, the presence of discrete two-phase flow processes become diminished. Instead, the classical gas-liquid interface is replaced by diffusion-dominated mixing. When and how this transition occurs, however, is not well understood. Modern theory still lacks a physically based model to quantify this transition and the precise mechanisms that lead to it. In this paper, we derive a new model that explains how the transition occurs in multicomponent fluids and present a detailed analysis to quantify it. The model applies a detailed property evaluation scheme based on a modified 32-term Benedict-Webb-Rubin equation of state that accounts for the relevant real-fluid thermodynamic and transport properties of the multicomponent system. This framework is combined with Linear Gradient Theory, which describes the detailed molecular structure of the vapor-liquid interface region. Our analysis reveals that the two-phase interface breaks down not necessarily due to vanishing surface tension forces, but due to thickened interfaces at high subcritical temperatures coupled with an inherent reduction of the mean free molecular path. At a certain point, the combination of reduced surface tension, the thicker interface, and reduced mean free molecular path enter the continuum length scale regime. When this occurs, inter-molecular forces approach that of the multicomponent continuum where transport processes dominate across the interfacial region. This leads to a continuous phase transition from compressed liquid to supercritical mixture states. Based on this theory, a regime diagram for liquid injection is developed that quantifies the conditions under which classical sprays transition to dense-fluid jets. It is shown that the chamber pressure required to support diffusion-dominated mixing dynamics depends on the composition and temperature of the injected liquid and ambient gas. To illustrate the method and analysis, we use conditions typical of diesel engine injection. We also present a companion set of high-speed images to provide experimental validation of the presented theory. The basic theory is quite general and applies to a wide range of modern propulsion and power systems such as liquid rockets, gas turbines, and reciprocating engines. Interestingly, the regime diagram associated with diesel engine injection suggests that classical spray phenomena at typical injection conditions do not occur.

On a chiral analog of the Einstein-de Haas effect

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

Zakharov, V. I., E-mail: vzakharov@itep.ru

The Einstein-de Haas effect reveals a transfer of angular momentum from microscopic constituents (electrons) to a macroscopic body, but in the case of massless fermions, one could expect the transfer of the chirality of constituents to macroscopic helical motion. For such a picture to be consistent, the macroscopic helicity is to be conserved classically, to echo the conservation of the angular momentum of a rotating body. The helicity conservation would in turn impose constraints on hydrodynamics of chiral liquids (whose constituents are massless fermions). Essentially, the chiral liquids are dissipation-free, on the classical level. Reservations and alternatives to this scenariomore » are discussed.« less

Atomization and dense-fluid breakup regimes in liquid rocket engines

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

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE PAGES

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

2015-04-20

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

A Binary Solid-Liquid Phase Diagram Experiment Including Determination of Purity, Enthalpy of Fusion and True Melting Point.

ERIC Educational Resources Information Center

Meyer, Edwin F.; Meyer, Joseph A.

1980-01-01

Describes an experiment as an alternative to undergraduate experiments limited to high temperature metal systems or lower temperature systems involving objectionable or unstable materials. Lists six advantages of the experiment. (Author/JN)

On the kinematics of a runaway Be star population

NASA Astrophysics Data System (ADS)

Boubert, D.; Evans, N. W.

2018-07-01

We explore the hypothesis that B-type emission-line stars (Be stars) have their origin in mass-transfer binaries by measuring the fraction of runaway Be stars. We assemble the largest-to-date catalogue of 632 Be stars with 6D kinematics, exploiting the precise astrometry of the Tycho-Gaia Astrometric Solution from the first Gaia data release. Using binary stellar evolution simulations, we make predictions for the runaway and equatorial rotation velocities of a runaway Be star population. Accounting for observational biases, we calculate that if all classical Be stars originated through mass transfer in binaries, then 17.5 per cent of the Be stars in our catalogue should be runaways. The remaining 82.5 per cent should be in binaries with subdwarfs, white dwarfs, or neutron stars, because those systems either remained bound post-supernova or avoided the supernova entirely. Using a Bayesian methodology, we compare the hypothesis that each Be star in our catalogue is a runaway to the null hypothesis that it is a member of the Milky Way disc. We find that 13.1^{+2.6}_{-2.4} per cent of the Be stars in our catalogue are runaways and identify a subset of 40 high-probability runaways. We argue that deficiencies in our understanding of binary stellar evolution, as well as the degeneracy between velocity dispersion and number of runaway stars, can explain the slightly lower runaway fraction. We thus conclude that all Be stars could be explained by an origin in mass-transfer binaries. This conclusion is testable with the second Gaia data release (DR2).

Mapping quantitative trait loci for binary trait in the F2:3 design.

PubMed

Zhu, Chengsong; Zhang, Yuan-Ming; Guo, Zhigang

2008-12-01

In the analysis of inheritance of quantitative traits with low heritability, an F(2:3) design that genotypes plants in F(2) and phenotypes plants in F(2:3) progeny is often used in plant genetics. Although statistical approaches for mapping quantitative trait loci (QTL) in the F(2:3) design have been well developed, those for binary traits of biological interest and economic importance are seldom addressed. In this study, an attempt was made to map binary trait loci (BTL) in the F(2:3) design. The fundamental idea was: the F(2) plants were genotyped, all phenotypic values of each F(2:3) progeny were measured for binary trait, and these binary trait values and the marker genotype informations were used to detect BTL under the penetrance and liability models. The proposed method was verified by a series of Monte-Carlo simulation experiments. These results showed that maximum likelihood approaches under the penetrance and liability models provide accurate estimates for the effects and the locations of BTL with high statistical power, even under of low heritability. Moreover, the penetrance model is as efficient as the liability model, and the F(2:3) design is more efficient than classical F(2) design, even though only a single progeny is collected from each F(2:3) family. With the maximum likelihood approaches under the penetrance and the liability models developed in this study, we can map binary traits as we can do for quantitative trait in the F(2:3) design.

On the kinematics of a runaway Be star population

NASA Astrophysics Data System (ADS)

Boubert, D.; Evans, N. W.

2018-04-01

We explore the hypothesis that B type emission-line stars (Be stars) have their origin in mass-transfer binaries by measuring the fraction of runaway Be stars. We assemble the largest-to-date catalogue of 632 Be stars with 6D kinematics, exploiting the precise astrometry of the Tycho-Gaia Astrometric Solution (TGAS) from the first Gaia Data Release. Using binary stellar evolution simulations, we make predictions for the runaway and equatorial rotation velocities of a runaway Be star population. Accounting for observational biases, we calculate that if all classical Be stars originated through mass transfer in binaries, then 17.5% of the Be stars in our catalogue should be runaways. The remaining 82.5% should be in binaries with subdwarfs, white dwarfs or neutron stars, because those systems either remained bound post-supernova or avoided the supernova entirely. Using a Bayesian methodology, we compare the hypothesis that each Be star in our catalogue is a runaway to the null hypothesis that it is a member of the Milky Way disc. We find that 13.1^{+2.6}_{-2.4}% of the Be stars in our catalogue are runaways, and identify a subset of 40 high-probability runaways. We argue that deficiencies in our understanding of binary stellar evolution, as well as the degeneracy between velocity dispersion and number of runaway stars, can explain the slightly lower runaway fraction. We thus conclude that all Be stars could be explained by an origin in mass-transfer binaries. This conclusion is testable with the second Gaia data release (DR2).

Isometries and binary images of linear block codes over ℤ4 + uℤ4 and ℤ8 + uℤ8

NASA Astrophysics Data System (ADS)

Sison, Virgilio; Remillion, Monica

2017-10-01

Let {{{F}}}2 be the binary field and ℤ2 r the residue class ring of integers modulo 2 r , where r is a positive integer. For the finite 16-element commutative local Frobenius non-chain ring ℤ4 + uℤ4, where u is nilpotent of index 2, two weight functions are considered, namely the Lee weight and the homogeneous weight. With the appropriate application of these weights, isometric maps from ℤ4 + uℤ4 to the binary spaces {{{F}}}24 and {{{F}}}28, respectively, are established via the composition of other weight-based isometries. The classical Hamming weight is used on the binary space. The resulting isometries are then applied to linear block codes over ℤ4+ uℤ4 whose images are binary codes of predicted length, which may or may not be linear. Certain lower and upper bounds on the minimum distances of the binary images are also derived in terms of the parameters of the ℤ4 + uℤ4 codes. Several new codes and their images are constructed as illustrative examples. An analogous procedure is performed successfully on the ring ℤ8 + uℤ8, where u 2 = 0, which is a commutative local Frobenius non-chain ring of order 64. It turns out that the method is possible in general for the class of rings ℤ2 r + uℤ2 r , where u 2 = 0, for any positive integer r, using the generalized Gray map from ℤ2 r to {{{F}}}2{2r-1}.

Lithium insertion in graphite from ternary ionic liquid-lithium salt electrolytes. I. Electrochemical characterization of the electrolytes

NASA Astrophysics Data System (ADS)

Appetecchi, Giovanni B.; Montanino, Maria; Balducci, Andrea; Lux, Simon F.; Winterb, Martin; Passerini, Stefano

In this paper we report the results of chemical-physical investigation performed on ternary room temperature ionic liquid-lithium salt mixtures as electrolytes for lithium-ion battery systems. The ternary electrolytes were made by mixing N-methyl- N-propyl pyrrolidinium bis(fluorosulfonyl) imide (PYR 13FSI) and N-butyl- N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide (PYR 14TFSI) ionic liquids with lithium hexafluorophosphate (LiPF 6) or lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). The mixtures were developed based on preliminary results on the cyclability of graphite electrodes in the IL-LiX binary electrolytes. The results clearly show the beneficial synergic effect of the two ionic liquids on the electrochemical properties of the mixtures.

Acoustic composition sensor for cryogenic gas mixtures

NASA Technical Reports Server (NTRS)

Shakkottai, P.; Kwack, E. Y.; Luchik, T. S.; Back, L. H.

1991-01-01

An acoustic sensor useful for the determination of the composition of a gaseous binary mixture in cryogenic liquid spills has been characterized. One version of the instrument traps a known mixture of helium and nitrogen at ambient temperature in a tube which is interrogated by sonic pulses to determine the speed of sound and hence the composition. Experimental data shows that this sensor is quite accurate. The second version uses two unconfined microphones which sense sound pulses. Experimental data acquired during mixing when liquid nitrogen is poured into a vessel of gaseous helium is presented. Data during transient cooling of the tubular sensor containing nitrogen when the sensor is dipped into liquid nitrogen and during transient warm-up when the sensor is withdrawn are also presented. This sensor is being developed for use in the mixing of liquid cryogens with gas evolution in the simulation of liquid hydrogen/liquid oxygen explosion hazards.

Acoustic composition sensor for cryogenic gas mixtures

NASA Astrophysics Data System (ADS)

Shakkottai, P.; Kwack, E. Y.; Luchik, T. S.; Back, L. H.

An acoustic sensor useful for the determination of the composition of a gaseous binary mixture in cryogenic liquid spills has been characterized. One version of the instrument traps a known mixture of helium and nitrogen at ambient temperature in a tube which is interrogated by sonic pulses to determine the speed of sound and hence the composition. Experimental data shows that this sensor is quite accurate. The second version uses two unconfined microphones which sense sound pulses. Experimental data acquired during mixing when liquid nitrogen is poured into a vessel of gaseous helium is presented. Data during transient cooling of the tubular sensor containing nitrogen when the sensor is dipped into liquid nitrogen and during transient warm-up when the sensor is withdrawn are also presented. This sensor is being developed for use in the mixing of liquid cryogens with gas evolution in the simulation of liquid hydrogen/liquid oxygen explosion hazards.

Solid, liquid, and interfacial properties of TiAl alloys: parameterization of a new modified embedded atom method model

NASA Astrophysics Data System (ADS)

Sun, Shoutian; Ramu Ramachandran, Bala; Wick, Collin D.

2018-02-01

New interatomic potentials for pure Ti and Al, and binary TiAl were developed utilizing the second nearest neighbour modified embedded-atom method (MEAM) formalism. The potentials were parameterized to reproduce multiple properties spanning bulk solids, solid surfaces, solid/liquid phase changes, and liquid interfacial properties. This was carried out using a newly developed optimization procedure that combined the simple minimization of a fitness function with a genetic algorithm to efficiently span the parameter space. The resulting MEAM potentials gave good agreement with experimental and DFT solid and liquid properties, and reproduced the melting points for Ti, Al, and TiAl. However, the surface tensions from the model consistently underestimated experimental values. Liquid TiAl’s surface was found to be mostly covered with Al atoms, showing that Al has a significant propensity for the liquid/air interface.

Solid, liquid, and interfacial properties of TiAl alloys: parameterization of a new modified embedded atom method model.

PubMed

Sun, Shoutian; Ramachandran, Bala Ramu; Wick, Collin D

2018-02-21

New interatomic potentials for pure Ti and Al, and binary TiAl were developed utilizing the second nearest neighbour modified embedded-atom method (MEAM) formalism. The potentials were parameterized to reproduce multiple properties spanning bulk solids, solid surfaces, solid/liquid phase changes, and liquid interfacial properties. This was carried out using a newly developed optimization procedure that combined the simple minimization of a fitness function with a genetic algorithm to efficiently span the parameter space. The resulting MEAM potentials gave good agreement with experimental and DFT solid and liquid properties, and reproduced the melting points for Ti, Al, and TiAl. However, the surface tensions from the model consistently underestimated experimental values. Liquid TiAl's surface was found to be mostly covered with Al atoms, showing that Al has a significant propensity for the liquid/air interface.

First-Principles Prediction of Liquid/Liquid Interfacial Tension.

PubMed

Andersson, M P; Bennetzen, M V; Klamt, A; Stipp, S L S

2014-08-12

The interfacial tension between two liquids is the free energy per unit surface area required to create that interface. Interfacial tension is a determining factor for two-phase liquid behavior in a wide variety of systems ranging from water flooding in oil recovery processes and remediation of groundwater aquifers contaminated by chlorinated solvents to drug delivery and a host of industrial processes. Here, we present a model for predicting interfacial tension from first principles using density functional theory calculations. Our model requires no experimental input and is applicable to liquid/liquid systems of arbitrary compositions. The consistency of the predictions with experimental data is significant for binary, ternary, and multicomponent water/organic compound systems, which offers confidence in using the model to predict behavior where no data exists. The method is fast and can be used as a screening technique as well as to extend experimental data into conditions where measurements are technically too difficult, time consuming, or impossible.

Exchanging the liquidity hypothesis: Delay discounting of money and self-relevant non-money rewards

PubMed Central

Stuppy-Sullivan, Allison M.; Tormohlen, Kayla N.; Yi, Richard

2015-01-01

Evidence that primary rewards (e.g., food and drugs of abuse) are discounted more than money is frequently attributed to money's high degree of liquidity, or exchangeability for many commodities. The present study provides some evidence against this liquidity hypothesis by contrasting delay discounting of monetary rewards (liquid) and non-monetary commodities (non-liquid) that are self-relevant and utility-matched. Ninety-seven (97) undergraduate students initially completed a conventional binary-choice delay discounting of money task. Participants returned one week later and completed a self-relevant commodity delay discounting task. Both conventional hypothesis testing and more-conservative tests of statistical equivalence revealed correspondence in rate of delay discounting of money and self-relevant commodities, and in one magnitude condition, less discounting for the latter. The present results indicate that liquidity of money cannot fully account for the lower rate of delay discounting compared to non-money rewards. PMID:26556504

Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane.

PubMed

Das, Arya; Ali, Sk Musharaf

2018-02-21

Tri-isoamyl phosphate (TiAP) has been proposed to be an alternative for tri-butyl phosphate (TBP) in the Plutonium Uranium Extraction (PUREX) process. Recently, we have successfully calibrated and tested all-atom optimized potentials for liquid simulations using Mulliken partial charges for pure TiAP, TBP, and dodecane by performing molecular dynamics (MD) simulation. It is of immense importance to extend this potential for the various molecular properties of TiAP and TiAP/n-dodecane binary mixtures using MD simulation. Earlier, efforts were devoted to find out a suitable force field which can explain both structural and dynamical properties by empirical parameterization. Therefore, the present MD study reports the structural, dynamical, and thermodynamical properties with different mole fractions of TiAP-dodecane mixtures at the entire range of mole fraction of 0-1 employing our calibrated Mulliken embedded optimized potentials for liquid simulation (OPLS) force field. The calculated electric dipole moment of TiAP was seen to be almost unaffected by the TiAP concentration in the dodecane diluent. The calculated liquid densities of the TiAP-dodecane mixture are in good agreement with the experimental data. The mixture densities at different temperatures are also studied which was found to be reduced with temperature as expected. The plot of diffusivities for TiAP and dodecane against mole fraction in the binary mixture intersects at a composition in the range of 25%-30% of TiAP in dodecane, which is very much closer to the TBP/n-dodecane composition used in the PUREX process. The excess volume of mixing was found to be positive for the entire range of mole fraction and the excess enthalpy of mixing was shown to be endothermic for the TBP/n-dodecane mixture as well as TiAP/n-dodecane mixture as reported experimentally. The spatial pair correlation functions are evaluated between TiAP-TiAP and TiAP-dodecane molecules. Further, shear viscosity has been computed by performing the non-equilibrium molecular dynamics employing the periodic perturbation method. The calculated shear viscosity of the binary mixture is found to be in excellent agreement with the experimental values. The use of the newly calibrated OPLS force field embedding Mulliken charges is shown to be equally reliable in predicting the structural and dynamical properties for the mixture without incorporating any arbitrary scaling in the force field or Lennard-Jones parameters. Further, the present MD simulation results demonstrate that the Stokes-Einstein relation breaks down at the molecular level. The present methodology might be adopted to evaluate the liquid state properties of an aqueous-organic biphasic system, which is of great significance in the interfacial science and technology.

Molecular dynamics simulation for the test of calibrated OPLS-AA force field for binary liquid mixture of tri-iso-amyl phosphate and n-dodecane

NASA Astrophysics Data System (ADS)

Das, Arya; Ali, Sk. Musharaf

2018-02-01

Tri-isoamyl phosphate (TiAP) has been proposed to be an alternative for tri-butyl phosphate (TBP) in the Plutonium Uranium Extraction (PUREX) process. Recently, we have successfully calibrated and tested all-atom optimized potentials for liquid simulations using Mulliken partial charges for pure TiAP, TBP, and dodecane by performing molecular dynamics (MD) simulation. It is of immense importance to extend this potential for the various molecular properties of TiAP and TiAP/n-dodecane binary mixtures using MD simulation. Earlier, efforts were devoted to find out a suitable force field which can explain both structural and dynamical properties by empirical parameterization. Therefore, the present MD study reports the structural, dynamical, and thermodynamical properties with different mole fractions of TiAP-dodecane mixtures at the entire range of mole fraction of 0-1 employing our calibrated Mulliken embedded optimized potentials for liquid simulation (OPLS) force field. The calculated electric dipole moment of TiAP was seen to be almost unaffected by the TiAP concentration in the dodecane diluent. The calculated liquid densities of the TiAP-dodecane mixture are in good agreement with the experimental data. The mixture densities at different temperatures are also studied which was found to be reduced with temperature as expected. The plot of diffusivities for TiAP and dodecane against mole fraction in the binary mixture intersects at a composition in the range of 25%-30% of TiAP in dodecane, which is very much closer to the TBP/n-dodecane composition used in the PUREX process. The excess volume of mixing was found to be positive for the entire range of mole fraction and the excess enthalpy of mixing was shown to be endothermic for the TBP/n-dodecane mixture as well as TiAP/n-dodecane mixture as reported experimentally. The spatial pair correlation functions are evaluated between TiAP-TiAP and TiAP-dodecane molecules. Further, shear viscosity has been computed by performing the non-equilibrium molecular dynamics employing the periodic perturbation method. The calculated shear viscosity of the binary mixture is found to be in excellent agreement with the experimental values. The use of the newly calibrated OPLS force field embedding Mulliken charges is shown to be equally reliable in predicting the structural and dynamical properties for the mixture without incorporating any arbitrary scaling in the force field or Lennard-Jones parameters. Further, the present MD simulation results demonstrate that the Stokes-Einstein relation breaks down at the molecular level. The present methodology might be adopted to evaluate the liquid state properties of an aqueous-organic biphasic system, which is of great significance in the interfacial science and technology.

Critical mingling and universal correlations in model binary active liquids

NASA Astrophysics Data System (ADS)

Bain, Nicolas; Bartolo, Denis

2017-06-01

Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.

Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.

PubMed

de Souza, Vanessa K; Wales, David J

2006-02-10

On short time scales an underlying Arrhenius temperature dependence of the diffusion constant can be extracted from the fragile, super-Arrhenius diffusion of a binary Lennard-Jones mixture. This Arrhenius diffusion is related to the true super-Arrhenius behavior by a factor that depends on the average angle between steps in successive time windows. The correction factor accounts for the fact that on average, successive displacements are negatively correlated, and this effect can therefore be linked directly with the higher apparent activation energy for diffusion at low temperature.

Applications of the Soave-Redlich-Kwong Equations of State Using Mathematic

NASA Astrophysics Data System (ADS)

Sun, Lanyi; Zhai, Cheng; Zhang, Hui

The application of the Peng-Robinson equations of state (PR EOS) using Matlab and Mathematic has already been demonstrated. In this paper, using Mathematic to solve Soave-Redlich-Kwong (SRK) EOS, as well as the estimation of pure component properties, plotting of vapor-liquid equilibrium (VLE) diagram and calculation of chemical equilibrium, is presented. First the SRK EOS is used to predict several pure-component properties, such as liquid and gas molar volumes for isobutane. The vapor-liquid isobaric diagram is then plotted for a binary mixture composed of n-pentane and n-hexane under the pressures of 2*10^5 and 8*10^5 Pa respectively.

[Application of classical isothermal adsorption models in heavy metal ions/ diatomite system and related problems].

PubMed

Zhu, Jian; Wu, Qing-Ding; Wang, Ping; Li, Ke-Lin; Lei, Ming-Jing; Zhang, Wei-Li

2013-11-01

In order to fully understand adsorption nature of Cu2+, Zn2+, Pb2+, Cd2+, Mn2+, Fe3+ onto natural diatomite, and to find problems of classical isothermal adsorption models' application in liquid/solid system, a series of isothermal adsorption tests were conducted. As results indicate, the most suitable isotherm models for describing adsorption of Pb2+, Cd2+, Cu2+, Zn2+, Mn2+, Fe3+ onto natural diatomite are Tenkin, Tenkin, Langmuir, Tenkin, Freundlich and Freundlich, respectively, the adsorption of each ion onto natural diatomite is mainly a physical process, and the adsorption reaction is favorable. It also can be found that, when using classical isothermal adsorption models to fit the experimental data in liquid/solid system, the equilibrium adsorption amount q(e) is not a single function of ion equilibrium concentration c(e), while is a function of two variables, namely c(e) and the adsorbent concentration W0, q(e) only depends on c(e)/W(0). Results also show that the classical isothermal adsorption models have a significant adsorbent effect, and their parameter values are unstable, the simulation values of parameter differ greatly from the measured values, which is unhelpful for practical use. The tests prove that four-adsorption-components model can be used for describing adsorption behavior of single ion in nature diatomite-liquid system, its parameters k and q(m) have constant values, which is favorable for practical quantitative calculation in a given system.

A compressible two-layer model for transient gas-liquid flows in pipes

NASA Astrophysics Data System (ADS)

Demay, Charles; Hérard, Jean-Marc

2017-03-01

This work is dedicated to the modeling of gas-liquid flows in pipes. As a first step, a new two-layer model is proposed to deal with the stratified regime. The starting point is the isentropic Euler set of equations for each phase where the classical hydrostatic assumption is made for the liquid. The main difference with the models issued from the classical literature is that the liquid as well as the gas is assumed compressible. In that framework, an averaging process results in a five-equation system where the hydrostatic constraint has been used to define the interfacial pressure. Closure laws for the interfacial velocity and source terms such as mass and momentum transfer are provided following an entropy inequality. The resulting model is hyperbolic with non-conservative terms. Therefore, regarding the homogeneous part of the system, the definition and uniqueness of jump conditions is studied carefully and acquired. The nature of characteristic fields and the corresponding Riemann invariants are also detailed. Thus, one may build analytical solutions for the Riemann problem. In addition, positivity is obtained for heights and densities. The overall derivation deals with gas-liquid flows through rectangular channels, circular pipes with variable cross section and includes vapor-liquid flows.

Rapid determination of polycyclic aromatic hydrocarbons in rainwater by liquid-liquid microextraction and LC with core-shell particles column and fluorescence detection.

PubMed

Vinci, Giuliana; Antonelli, Marta L; Preti, Raffaella

2013-02-01

Liquid-liquid microextraction coupled to LC with fluorescence detection for the determination of Environmental Protection Agency's 16 priority pollutant polycyclic aromatic hydrocarbons in rainwater has been developed. The optimization of the extraction method has involved several parameters, including the comparison between an ultrasonic bath and a magnetic stirrer as extractant apparatus, the choice of the extractant solvent, and the optimization of the extraction time. Liquid-liquid microextraction gave good results in terms of recoveries (from 73.6 to 102.8% in rainwater) and repeatability, with a very simple procedure and low solvent consumption. The reported chromatographic method uses a Core-Shell technology column, with particle size <3 μm instead of classical 5-μm particles column. The resulting backpressure was below 300 bar, allowing the use of a conventional HPLC system rather than the more expensive ultrahigh performance LC (UHPLC). An average decrease of 59% in run time and 75% in eluent consumption has been obtained, compared to classical HPLC methods, keeping good separation, sensitivity, and repeatability. The proposed conditions were successfully applied to the determinations of polycyclic aromatic hydrocarbons in genuine rainwater samples. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermodynamic Optimization of the Ag-Bi-Cu-Ni Quaternary System: Part I, Binary Subsystems

NASA Astrophysics Data System (ADS)

Wang, Jian; Cui, Senlin; Rao, Weifeng

2018-07-01

A comprehensive literature review and thermodynamic optimization of the phase diagrams and thermodynamic properties of the Ag-Bi, Ag-Cu, Ag-Ni, Bi-Cu, and Bi-Ni binary systems are presented. CALculation of PHAse Diagrams (CALPHAD)-type thermodynamic optimization was carried out to reproduce all available and reliable experimental phase equilibrium and thermodynamic data. The modified quasichemical model was used to model the liquid solution. The compound energy formalism was utilized to describe the Gibbs energies of all terminal solid solutions and intermetallic compounds. A self-consistent thermodynamic database for the Ag-Bi, Ag-Cu, Ag-Ni, Bi-Cu, and Bi-Ni binary subsystems of the Ag-Bi-Cu-Ni quaternary system was developed. This database can be used as a guide for research and development of lead-free solders.

Experimental evidence for excess entropy discontinuities in glass-forming solutions.

PubMed

Lienhard, Daniel M; Zobrist, Bernhard; Zuend, Andreas; Krieger, Ulrich K; Peter, Thomas

2012-02-21

Glass transition temperatures T(g) are investigated in aqueous binary and multi-component solutions consisting of citric acid, calcium nitrate (Ca(NO(3))(2)), malonic acid, raffinose, and ammonium bisulfate (NH(4)HSO(4)) using a differential scanning calorimeter. Based on measured glass transition temperatures of binary aqueous mixtures and fitted binary coefficients, the T(g) of multi-component systems can be predicted using mixing rules. However, the experimentally observed T(g) in multi-component solutions show considerable deviations from two theoretical approaches considered. The deviations from these predictions are explained in terms of the molar excess mixing entropy difference between the supercooled liquid and glassy state at T(g). The multi-component mixtures involve contributions to these excess mixing entropies that the mixing rules do not take into account. © 2012 American Institute of Physics

Thermodynamic Optimization of the Ag-Bi-Cu-Ni Quaternary System: Part I, Binary Subsystems

NASA Astrophysics Data System (ADS)

Wang, Jian; Cui, Senlin; Rao, Weifeng

2018-05-01

A comprehensive literature review and thermodynamic optimization of the phase diagrams and thermodynamic properties of the Ag-Bi, Ag-Cu, Ag-Ni, Bi-Cu, and Bi-Ni binary systems are presented. CALculation of PHAse Diagrams (CALPHAD)-type thermodynamic optimization was carried out to reproduce all available and reliable experimental phase equilibrium and thermodynamic data. The modified quasichemical model was used to model the liquid solution. The compound energy formalism was utilized to describe the Gibbs energies of all terminal solid solutions and intermetallic compounds. A self-consistent thermodynamic database for the Ag-Bi, Ag-Cu, Ag-Ni, Bi-Cu, and Bi-Ni binary subsystems of the Ag-Bi-Cu-Ni quaternary system was developed. This database can be used as a guide for research and development of lead-free solders.

Optical Study of the Critical Behaviour of Pure Fluids and Binary Mixtures.

NASA Astrophysics Data System (ADS)

Narger, Ulrike

1990-01-01

Optical techniques were used to study the critical behaviour of the pure fluids CHF_3, CClF_3 and Xe, and binary mixtures He-Xe and nicotine + water. We find that for all these substances, the order parameter is described by a power law in the reduced temperature t = (T _{c} - T)/T_{c} with a leading exponent beta = 0.327 +/- 0.002. Also, we determine the first correction to scaling exponent to be Delta = 0.43 +/- 0.02 for the pure fluids and Delta = 0.50 +/- 0.02 for the He-Xe system. The coexistence curve diameter in CHF _3 and CClF_3 exhibits a deviation from recti-linear diameter, in agreement with a modern theory which interprets this behaviour as resulting from three-body effects. In contrast, no such deviation is observed in Xe where, according to that theory, it should be more pronounced than in other substances. In the polar fluid CHF_3, the order parameter, isothermal compressibility and the chemical potential along the critical isotherm were simultaneously measured in the same experiment in an effort to ensure self-consistency of the results. From the data, two amplitude ratios which are predicted to be universal are determined: Gamma_sp{0}{+} /Gamma_sp{0}{ -} = 4.8 +/- 0.6 and D_0 Gamma_sp{0}{+ } B_sp{0}{delta-1} = 1.66 +/- 0.14. In the binary liquid system nicotine + water, the diffusivity was measured both by light scattering and by interferometry. The results agree qualitatively, but differ by a factor of ~2. From the light scattering data, the critical exponent of the viscosity is found to be z_{eta } = 0.044 +/- 0.008. The interferometric experiments on Xe and He-Xe furnish a direct way to measure the effects of wetting: From the data, the exponent of the surface tension is found to be n = 1.24 +/- 0.06. The similarity of the order parameter and compressibility in Xe and a He-Xe mixture containing 5% He indicate that the phase transition in this He-Xe mixture is of the liquid -gas type rather than the binary liquid type.

Binary stellar mergers with marginally bound ejecta: excretion discs, inflated envelopes, outflows, and their luminous transients

NASA Astrophysics Data System (ADS)

Pejcha, Ondřej; Metzger, Brian D.; Tomida, Kengo

2016-09-01

We study mass-loss from the outer Lagrange point (L2) in binary stellar mergers and their luminous transients by means of radiative hydrodynamical simulations. Previously, we showed that for binary mass ratios 0.06 ≲ q ≲ 0.8, synchronous L2 mass-loss results in a radiatively inefficient, dust-forming unbound equatorial outflow. A similar outflow exists irrespective of q if the ratio of the sound speed to the orbital speed at the injection point is sufficiently large, ε ≡ cT/vorb ≳ 0.15. By contrast, for cold L2 mass-loss (ε ≲ 0.15) from binaries with q ≲ 0.06 or q ≳ 0.8, the equatorial outflow instead remains marginally bound and falls back to the binary over tens to hundreds of binary orbits, where it experiences additional tidal torquing and shocking. As the bound gas becomes virialized with the binary, the luminosity of the system increases slowly at approximately constant photosphere radius, causing the temperature to rise. Subsequent evolution depends on the efficiency of radiative cooling. If the bound atmosphere is able to cool efficiently, as quantified by radiative diffusion time being shorter than the advection time (tdiff/tadv ≪ 1), then the virialized gas collapses to an excretion disc, while for tdiff/tadv ≳ 1 an isotropic wind is formed. Between these two extremes, an inflated envelope transports the heat generated near the binary to the surface by meridional flows. In all cases, the radiated luminosity reaches a fraction ˜10-2 to 10-1 of dot{M}v_orb^2/2, where dot{M} is the mass outflow rate. We discuss the implications of our results for transients in the luminosity gap between classical novae and supernovae, such as V1309 Sco and V838 Mon.

Liquid phase heteroepitaxial growth on convex substrate using binary phase field crystal model

NASA Astrophysics Data System (ADS)

Lu, Yanli; Zhang, Tinghui; Chen, Zheng

2018-06-01

The liquid phase heteroepitaxial growth on convex substrate is investigated with the binary phase field crystal (PFC) model. The paper aims to focus on the transformation of the morphology of epitaxial films on convex substrate with two different radiuses of curvature (Ω) as well as influences of substrate vicinal angles on films growth. It is found that films growth experience different stages on convex substrate with different radiuses of curvature (Ω). For Ω = 512 Δx , the process of epitaxial film growth includes four stages: island coupled with layer-by-layer growth, layer-by-layer growth, island coupled with layer-by-layer growth, layer-by-layer growth. For Ω = 1024 Δx , film growth only experience islands growth and layer-by-layer growth. Also, substrate vicinal angle (π) is an important parameter for epitaxial film growth. We find the film can grow well when π = 2° for Ω = 512 Δx , while the optimized film can be obtained when π = 4° for Ω = 512 Δx .

Can an ammonium-based room temperature ionic liquid counteract the urea-induced denaturation of a small peptide?

PubMed

Ghosh, Soumadwip; Dey, Souvik; Patel, Mahendra; Chakrabarti, Rajarshi

2017-03-15

The folding/unfolding equilibrium of proteins in aqueous medium can be altered by adding small organic molecules generally termed as co-solvents. Denaturants such as urea are instrumental in the unfolding of proteins while protecting osmolytes favour the folded ensemble. Recently, room temperature ionic liquids (ILs) have been shown to counteract the deleterious effect of urea on proteins. In this paper, using atomistic molecular dynamics we show that a ternary mixture containing a particular ammonium-based IL, triethylammonium acetate (TEAA), and urea (in 1 : 5 molar ratio) helps a small 15-residue S-peptide analogue regain most of its native structure, whereas a binary aqueous mixture containing a large amount of urea alone completely distorts it. Our simulations show that the denaturant urea directly interacts with the peptide backbone in the binary mixture while for the ternary mixture both urea as well as the IL are preferentially excluded from the peptide surface.

Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids.

PubMed

Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

2008-02-28

This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

Quantitative evaluation of thermodynamic parameters of Li-Sn alloys related to their use in fusion reactor

NASA Astrophysics Data System (ADS)

Krasin, V. P.; Soyustova, S. I.

2018-07-01

Along with other liquid metals liquid lithium-tin alloys can be considered as an alternative to the use of solid plasma facing components of a future fusion reactor. Therefore, parameters characterizing both the ability to retain hydrogen isotopes and those that determine the extraction of tritium from a liquid metal can be of particular importance. Theoretical correlations based on the coordination cluster model have been used to obtain Sieverts' constants for solutions of hydrogen in liquid Li-Sn alloys. The results of theoretical computations are compared with the previously published experimental values for two alloys of the Li-Sn system. The Butler equation in combination with the equations describing the thermodynamic potentials of a binary solution is used to calculate the surface composition and surface tension of liquid Li-Sn alloys.

Homogeneous nucleation and droplet growth in nitrogen. M.S. Thesis

NASA Technical Reports Server (NTRS)

Dotson, E. H.

1983-01-01

A one dimensional computer model of the homogeneous nucleation process and growth of condensate for nitrogen flows over airfoils is developed to predict the onset of condensation and thus to be able to take advantage of as much of Reynolds capability of cryogenic tunnels as possible. Homogeneous nucleation data were taken using a DFVLR CAST-10 airfoil in the 0.3-Meter Transonic Cryogenic Tunnel and are used to evaluate the classical liquid droplet theory and several proposed corrections to it. For predicting liquid nitrogen condensation effects, use of the arbitrary Tolman constant of 0.25 x 250 billionth m or the Reiss or Kikuchi correction agrees with the CAST-10 data. Because no solid nitrogen condensation were found experimentally during the CAST-10 experiments, earlier nozzle data are used to evaluate corrections to the classical liquid droplet theory in the lower temperature regime. A theoretical expression for the surface tension of solid nitrogen is developed.

Araucaria Project: Pulsating stars in binary systems and as distance indicators

NASA Astrophysics Data System (ADS)

Pilecki, Bogumił; Gieren, Wolfgang; Pietrzyński, Grzegorz; Smolec, Radosław

2017-09-01

Pulsating stars, like Cepheids or RR Lyrae stars, are ones of the most important distance indicators. They are also key objects for testing the predictions of stellar evolution and stellar pulsation theory. In the Araucaria Project we have studied these objects since 2002, measuring distances to the galaxies in the Local Group and beyond. In 2010 we have for the first time confirmed spectroscopically the existence of a classical Cepheid in an eclipsing binary system. This has opened an opportunity to study in great details and with high accuracy (better than 1%) the physical parameters of these very important objects. First dynamical mass determination (Mcep = 4.16 ± 0.03 M⊙) let us solve the long-standing mass discrepancy problem. Since then we have measured masses for 6 classical Cepheids in binary systems and determined projection factors for three of them. One of the analyzed systems was confirmed to consist of two first-overtone Cepheids. Type II Cepheids are recently becoming more important as distance indicators and astrophysics laboratory, although our knowledge of these stars is quite limited. Their evolutionary status is also not well understood and observational constraints are needed to confirm the current theories. We are presenting here our first results of the spectroscopic analysis of 4 of these systems. The masses of type II Cepheids seem consistent with the expected 0.5 - 0.6 M⊙. We also present first results of the fully modeled pulsator originally classified as peculiar W Vir star. The mass of this star is 1.51 ± 0.09 M⊙ and the p-factor 1.3 ± 0.03. It was eventually found not to belong to any typical Cepheid group.

Calculations of the surface tensions of liquid metals

NASA Technical Reports Server (NTRS)

Stroud, D. G.

1981-01-01

The understanding of the surface tension of liquid metals and alloys from as close to first principles as possible is discussed. The two ingredients which are combined in these calculations are: the electron theory of metals, and the classical theory of liquids, as worked out within the framework of statistical mechanics. The results are a new theory of surface tensions and surface density profiles from knowledge purely of the bulk properties of the coexisting liquid and vapor phases. It is found that the method works well for the pure liquid metals on which it was tested; work is extended to mixtures of liquid metals, interfaces between immiscible liquid metals, and to the temperature derivative of the surface tension.

A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytes

NASA Astrophysics Data System (ADS)

Lourenço, Tuanan C.; Zhang, Yong; Costa, Luciano T.; Maginn, Edward J.

2018-05-01

Classical molecular dynamics simulations were performed on twelve different ionic liquids containing aprotic heterocyclic anions doped with Li+. These ionic liquids have been shown to be promising electrolytes for lithium ion batteries. Self-diffusivities, lithium transference numbers, densities, and free volumes were computed as a function of lithium concentration. The dynamics and free volume decreased with increasing lithium concentration, and the trends were rationalized by examining the changes to the liquid structure. Of those examined in the present work, it was found that (methyloxymethyl)triethylphosphonium triazolide ionic liquids have the overall best performance.

Essentializing the binary self: individualism and collectivism in cultural neuroscience

PubMed Central

Martínez Mateo, M.; Cabanis, M.; Stenmanns, J.; Krach, S.

2013-01-01

Within the emerging field of cultural neuroscience (CN) one branch of research focuses on the neural underpinnings of “individualistic/Western” vs. “collectivistic/Eastern” self-views. These studies uncritically adopt essentialist assumptions from classic cross-cultural research, mainly following the tradition of Markus and Kitayama (1991), into the domain of functional neuroimaging. In this perspective article we analyze recent publications and conference proceedings of the 18th Annual Meeting of the Organization for Human Brain Mapping (2012) and problematize the essentialist and simplistic understanding of “culture” in these studies. Further, we argue against the binary structure of the drawn “cultural” comparisons and their underlying Eurocentrism. Finally we scrutinize whether valuations within the constructed binarities bear the risk of constructing and reproducing a postcolonial, orientalist argumentation pattern. PMID:23801954

Marangoni Effect on the Shape of Freely Receding Evaporating Sessile Droplets of Perfectly Wetting Liquids

NASA Astrophysics Data System (ADS)

Tsoumpas, Yannis; Dehaeck, Sam; Rednikov, Alexey; Colinet, Pierre

2014-11-01

Freely receding evaporating sessile droplets of perfectly wetting liquids (HFE-7100, 7200 and 7500), with small finite contact angles induced by evaporation, are studied with a Mach-Zehnder interferometer. Surprisingly, the experimentally obtained profiles turn out to deviate from the classical macroscopic static shape of a sessile droplet (as determined by gravity and capillarity), often used when modeling evaporating droplets. These deviations can be seen in two ways. Namely, either the droplet appears to be inflated as compared to the classical static shape assuming the same contact angle and contact radius, or the apparent contact angle appears lower than the classical static one assuming the same volume and contact radius. In reality, the experimental profiles exhibit a local decrease of the slope near the contact line, which we attribute to the Marangoni effect in an evaporating sessile droplet. In this case, the radially inward (along the liquid-air interface) direction of the flow delivers more liquid to the center of the droplet making it appear inflated. When the Marangoni effect is weak, as in the case of the poorly volatile HFE-7500, no significant influence is noticed on the drop shape. The experimental results are compared with the predictions of a lubrication-type theoretical model that incorporates the evaporation-induced Marangoni flow. Financial support of FP7 Marie Curie MULTIFLOW Network (PITN-GA-2008-214919), ESA/BELSPO-PRODEX, BELSPO- μMAST (IAP 7/38) & FRS-FNRS is gratefully acknowledged.

The planetary nebula IC 4776 and its post-common-envelope binary central star

NASA Astrophysics Data System (ADS)

Sowicka, Paulina; Jones, David; Corradi, Romano L. M.; Wesson, Roger; García-Rojas, Jorge; Santander-García, Miguel; Boffin, Henri M. J.; Rodríguez-Gil, Pablo

2017-11-01

We present a detailed analysis of IC 4776, a planetary nebula displaying a morphology believed to be typical of central star binarity. The nebula is shown to comprise a compact hourglass-shaped central region and a pair of precessing jet-like structures. Time-resolved spectroscopy of its central star reveals a periodic radial velocity variability consistent with a binary system. Whilst the data are insufficient to accurately determine the parameters of the binary, the most likely solutions indicate that the secondary is probably a low-mass main-sequence star. An empirical analysis of the chemical abundances in IC 4776 indicates that the common-envelope phase may have cut short the asymptotic giant branch evolution of the progenitor. Abundances calculated from recombination lines are found to be discrepant by a factor of approximately 2 relative to those calculated using collisionally excited lines, suggesting a possible correlation between low-abundance discrepancy factors and intermediate-period post-common-envelope central stars and/or Wolf-Rayet central stars. The detection of a radial velocity variability associated with the binarity of the central star of IC 4776 may be indicative of a significant population of (intermediate-period) post-common-envelope binary central stars that would be undetected by classic photometric monitoring techniques.

Astroserver - Research Services in the Stellar Webshop

NASA Astrophysics Data System (ADS)

Németh, Péter

2017-12-01

A quick look at research and development in astronomy shows that we live in exciting times. Exoplanetary systems, supernovae, and merging binary black holes were far out of reach for observers two decades ago and now such phenomena are recorded routinely. This quick development would not have been possible without the ability for researchers to be connected, to think globally and to be mobile. Classical short-term positions are not always suitable to support these conditions and freelancing may be a viable alternative.We introduce the Astroserver framework, which is a new freelancing platform for scientists, and demonstrate through examples how it contributed to some recent projects related to hot subdwarf stars and binaries. These contributions, which included spectroscopic data mining, computing services and observing services, as well as artwork, allowed a deeper look into the investigated systems. The work on composite spectra binaries provided new details for the hypervelocity wide subdwarf binary PB 3877 and found diverse and rare systems with sub-giant companions in high-resolution spectroscopic surveys. The models for the peculiar abundance pattern of the evolved compact star LP 40-365 showed it to be a bound hypervelocity remnant of a supernova Iax event. Some of these works also included data visualizations to help presenting the new results. Such services may be of interest for many researchers.

Interfacial free energy controlling glass-forming ability of Cu-Zr alloys.

PubMed

Kang, Dong-Hee; Zhang, Hao; Yoo, Hanbyeol; Lee, Hyun Hwi; Lee, Sooheyong; Lee, Geun Woo; Lou, Hongbo; Wang, Xiaodong; Cao, Qingping; Zhang, Dongxian; Jiang, Jianzhong

2014-06-04

Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring compositions with an equivalent driving Gibbs free energy. This observation implies that the GFA of the Cu-Zr alloys is significantly affected by crystal-liquid interfacial free energy. In particular, the crystal-liquid interfacial free energy of Cu64Zr36 in our measurement was higher than that of other neighbouring liquids and, coincidently a molecular dynamics simulation reveals a larger glass-glass interfacial energy value at this composition, which reflects more distinct configuration difference between liquid and crystal phase. The present results demonstrate that the higher crystal-liquid interfacial free energy is a prerequisite of good GFA of the Cu-Zr alloys.

Psychosomatic symptoms as biomarkers: transcending the psyche-soma dichotomy.

PubMed

Neuman, Yair

2010-01-01

Following the advancement in understanding dynamical systems, the author presents a novel metaphor of psychosomatic symptoms as low-dimensional biomarkers. This metaphor, which transcends the old binary of psyche-soma, resonates with classical psychoanalytic concepts and with Matte-Blanco's idea of repetition as indicative of dimensionality reduction. The relevance of this metaphor for explanation, diagnosis, and treatment is illustrated through a case study of a male patient suffering from hyperprolactinemia.

V1334 Cyg: A Triple System Containing a Classical Cepheid

NASA Astrophysics Data System (ADS)

Evans, N. R.

2000-05-01

HR 8157 = ADS 14859 = HD 203156 = V1334 Cyg was recognized a hundred years ago to be a marginally resolved visual binary. Millis (1969, Lowell Obs Bull, 7, 113) discovered that the brightest star in the system is a low amplitude classical Cepheid with a pulsation period of 3.3 days. Early radial velocity observations by Abt and Levy (1970, PASP, 82, 334) differed from scattered radial velocity observations in the first half of the century implying that in addition to the long period system, the Cepheid is also a member of a short period binary. We have observed Cepheid V1334 Cyg A for nearly 30 years. From this radial velocity data we have derived an orbit with a period of 5 years. The orbit provides limits on the mass of the companion (V1334 Cyg C) of 3.1 to 4.4 solar masses. We have used an IUE high resolution spectrum to conclude that the hottest star in the system (V1334 Cyg B) which dominates the spectrum in the ultraviolet is the wide companion since the velocity is very near the systemic velocity. Financial support was supplied through a Natural Sciences and Engineering Research Council, Canada (NSERC) grant and HST Grant GO-07478.01-96A, and from the Chandra Science Center NASA Contract NAS8-39073.

Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach.

PubMed

Míguez, J M; Piñeiro, M M; Algaba, J; Mendiboure, B; Torré, J P; Blas, F J

2015-11-05

The high-pressure phase diagrams of the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) mixtures are examined using the SAFT-VR approach. Carbon dioxide molecule is modeled as two spherical segments tangentially bonded, water is modeled as a spherical segment with four associating sites to represent the hydrogen bonding, methane is represented as an isolated sphere, and tetrahydrofuran is represented as a chain of m tangentially bonded spherical segments. Dispersive interactions are modeled using the square-well intermolecular potential. In addition, two different molecular model mixtures are developed to take into account the subtle balance between water-tetrahydrofuran hydrogen-bonding interactions. The polar and quadrupolar interactions present in water, tetrahydrofuran, and carbon dioxide are treated in an effective way via square-well potentials of variable range. The optimized intermolecular parameters are taken from the works of Giner et al. (Fluid Phase Equil. 2007, 255, 200), Galindo and Blas (J. Phys. Chem. B 2002, 106, 4503), Patel et al. (Ind. Eng. Chem. Res. 2003, 42, 3809), and Clark et al. (Mol. Phys. 2006, 104, 3561) for tetrahydrofuran, carbon dioxide, methane, and water, respectively. The phase diagrams of the binary mixtures exhibit different types of phase behavior according to the classification of van Konynenburg and Scott, ranging from types I, III, and VI phase behavior for the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) binary mixtures, respectively. This last type is characterized by the presence of a Bancroft point, positive azeotropy, and the so-called closed-loop curves that represent regions of liquid-liquid immiscibility in the phase diagram. The system exhibits lower critical solution temperatures (LCSTs), which denote the lower limit of immiscibility together with upper critical solution temperatures (UCSTs). This behavior is explained in terms of competition between the incompatibility with the alkyl parts of the tetrahydrofuran ring chain and the hydrogen bonding between water and the ether group. A minimum number of unlike interaction parameters are fitted to give the optimal representation of the most representative features of the binary phase diagrams. In the particular case of tetrahydrofuran(1) + water(2), two sets of intermolecular potential model parameters are proposed to describe accurately either the hypercritical point associated with the closed-loop liquid-liquid immiscibility region or the location of the mixture lower- and upper-critical end-points. The theory is not only able to predict the type of phase behavior of each mixture, but also provides a reasonably good description of the global phase behavior whenever experimental data are available.

The multiplicity of T Tauri stars in the star forming regions Taurus-Auriga and Ophiuchus-Scorpius: A 2.2 micron speckle imaging survey

NASA Technical Reports Server (NTRS)

Ghez, A. M.; Neugebauer, G.; Matthews, K.

1993-01-01

We present the results of a magnitude limited (K less than = 8.5 mag) speckle imaging survey of 69 T Tauri stars in the star forming regions Taurus-Auriga and Ophiuchus-Scorpius. Thirty-three companion stars were found with separations ranging from 0.07 sec to 2.5 sec, nine are new detections. This survey reveals a distinction between the classical T Tauri stars (CTTS) and the weak-lined T Tauri stars (WTTS) based on the binary star frequency as a function of separation: the WTTS binary star distribution is enhanced at the closer separations (less than 50 AU) relative to the CTTS binary star distribution. We suggest that the nearby companion stars shorten the accretion time scale in multiple star systems, thereby accounting for the presence of WTTS that are coeval with many CTTS. The binary star frequency in the projected linear separation range 16 to 252 AU for T Tauri stars (60 (+/- 17)%) is a factor of 4 greater than that of the solar-type main-sequence stars (16(+/- 3)%). Given the limited separation range of this survey, the rate at which binaries are detected suggests that most, if not all, T Tauri stars have companions. We propose that the observed overabundance of companions of T Tauri stars is an evolutionary effect, in which triple and higher order T Tauri stars are disrupted by close encounters with another star or system of stars.

Infrared outbursts as potential tracers of common-envelope events in high-mass X-ray binary formation

NASA Astrophysics Data System (ADS)

Oskinova, Lidia M.; Bulik, Tomasz; Gómez-Morán, Ada Nebot

2018-06-01

Context. Classic massive binary evolutionary scenarios predict that a transitional common-envelope (CE) phase could be preceded as well as succeeded by the evolutionary stage when a binary consists of a compact object and a massive star, that is, a high-mass X-ray binary (HMXB). The observational manifestations of common envelope are poorly constrained. We speculate that its ejection might be observed in some cases as a transient event at mid-infrared (IR) wavelengths. Aims: We estimate the expected numbers of CE ejection events and HMXBs per star formation unit rate, and compare these theoretical estimates with observations. Methods: We compiled a list of 85 mid-IR transients of uncertain nature detected by the Spitzer Infrared Intensive Transients Survey and searched for their associations with X-ray, optical, and UV sources. Results: Confirming our theoretical estimates, we find that only one potential HMXB may be plausibly associated with an IR-transient and tentatively propose that X-ray source NGC 4490-X40 could be a precursor to the SPIRITS 16az event. Among other interesting sources, we suggest that the supernova remnant candidate [BWL2012] 063 might be associated with SPIRITS 16ajc. We also find that two SPIRITS events are likely associated with novae, and seven have potential optical counterparts. Conclusions: The massive binary evolutionary scenarios that involve CE events do not contradict currently available observations of IR transients and HMXBs in star-forming galaxies.

Bio-dispersive liquid liquid microextraction based on nano rhaminolipid aggregates combined with magnetic solid phase extraction using Fe3O4@PPy magnetic nanoparticles for the determination of methamphetamine in human urine.

PubMed

Haeri, Seyed Ammar; Abbasi, Shahryar; Sajjadifar, Sami

2017-09-15

In the present investigation, extraction and preconcentration of methamphetamine in human urine samples was carried out using a novel bio-dispersive liquid liquid microextraction (Bio-DLLME) technique coupled with magnetic solid phase extraction (MSPE). Bio-DLLME is a kind of microextraction technique based nano-materials which have potential capabilities in many application fields. Bio-DLLME is based on the use of a binary part system consisting of methanol and nano rhaminolipid biosurfactant. Use of this binary mixture is ecologically accepted due to their specificity, biocompatibility and biodegradable nature. The potential of nano rhaminolipid biosurfactant as a biological agent in the extraction of organic compounds has been investigated in recent years. They are able to partition at the oil/water interfaces and reduce the interfacial tension in order to increase solubility of hydrocarbons. The properties of the prepared Fe 3 O 4 @PPy magnetic nanoparticles were characterized using Fourier transform infrared spectroscopy and X-ray diffraction methods The influences of the experimental parameters on the quantitative recovery of analyte were investigated. Under optimized conditions, the enrichment factor was 310, the calibration graph was linear in the methamphetamine concentration range from 1 to 60μgL -1 , with a correlation coefficient of 0.9998. The relative standard deviations for six replicate measurements was 5.2%. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular simulation of the thermodynamic, structural, and vapor-liquid equilibrium properties of neon

NASA Astrophysics Data System (ADS)

Vlasiuk, Maryna; Frascoli, Federico; Sadus, Richard J.

2016-09-01

The thermodynamic, structural, and vapor-liquid equilibrium properties of neon are comprehensively studied using ab initio, empirical, and semi-classical intermolecular potentials and classical Monte Carlo simulations. Path integral Monte Carlo simulations for isochoric heat capacity and structural properties are also reported for two empirical potentials and one ab initio potential. The isobaric and isochoric heat capacities, thermal expansion coefficient, thermal pressure coefficient, isothermal and adiabatic compressibilities, Joule-Thomson coefficient, and the speed of sound are reported and compared with experimental data for the entire range of liquid densities from the triple point to the critical point. Lustig's thermodynamic approach is formally extended for temperature-dependent intermolecular potentials. Quantum effects are incorporated using the Feynman-Hibbs quantum correction, which results in significant improvement in the accuracy of predicted thermodynamic properties. The new Feynman-Hibbs version of the Hellmann-Bich-Vogel potential predicts the isochoric heat capacity to an accuracy of 1.4% over the entire range of liquid densities. It also predicts other thermodynamic properties more accurately than alternative intermolecular potentials.

Microscopic aspects of wetting using classical density functional theory

NASA Astrophysics Data System (ADS)

Yatsyshin, P.; Durán-Olivencia, M.-A.; Kalliadasis, S.

2018-07-01

Wetting is a rather efficient mechanism for nucleation of a phase (typically liquid) on the interface between two other phases (typically solid and gas). In many experimentally accessible cases of wetting, the interplay between the substrate structure, and the fluid–fluid and fluid–substrate intermolecular interactions brings about an entire ‘zoo’ of possible fluid configurations, such as liquid films with a thickness of a few nanometers, liquid nanodrops and liquid bridges. These fluid configurations are often associated with phase transitions occurring at the solid–gas interface and at lengths of just several molecular diameters away from the substrate. In this special issue article, we demonstrate how a fully microscopic classical density-functional framework can be applied to the efficient, rational and systematic exploration of the rich phase space of wetting phenomena. We consider a number of model prototype systems such as wetting on a planar wall, a chemically patterned wall and a wedge. Through density-functional computations we demonstrate that for these simply structured substrates the behaviour of the solid–gas interface is already highly complex and non-trivial.

A sensitivity study of the effects of evaporation/condensation accommodation coefficients on transient heat pipe modeling

NASA Astrophysics Data System (ADS)

Hall, Michael L.; Doster, J. Michael

1990-03-01

The dynamic behavior of liquid metal heat pipe models is strongly influenced by the choice of evaporation and condensation modeling techniques. Classic kinetic theory descriptions of the evaporation and condensation processes are often inadequate for real situations; empirical accommodation coefficients are commonly utilized to reflect nonideal mass transfer rates. The complex geometries and flow fields found in proposed heat pipe systems cause considerable deviation from the classical models. the THROHPUT code, which has been described in previous works, was developed to model transient liquid metal heat pipe behavior from frozen startup conditions to steady state full power operation. It is used here to evaluate the sensitivity of transient liquid metal heat pipe models to the choice of evaporation and condensation accommodation coefficients. Comparisons are made with experimental liquid metal heat pipe data. It is found that heat pipe behavior can be predicted with the proper choice of the accommodation coefficients. However, the common assumption of spatially constant accommodation coefficients is found to be a limiting factor in the model.

On the Immersion Liquid Evaporation Method Based on the Dynamic Sweep of Magnitude of the Refractive Index of a Binary Liquid Mixture: A Case Study on Determining Mineral Particle Light Dispersion.

PubMed

Niskanen, Ilpo; Räty, Jukka; Peiponen, Kai-Erik

2017-07-01

This is a feasibility study of a modified immersion liquid technique for determining the refractive index of micro-sized particles. The practical challenge of the traditional liquid immersion method is to find or produce a suitable host liquid whose refractive index equals that of a solid particle. Usually, the immersion liquid method uses a set of immersion liquids with different refractive indices or continuously mixes two liquids with different refractive indices, e.g., using a pumping system. Here, the phenomenon of liquid evaporation has been utilized in defining the time-dependent refractive index variation of the host liquid. From the spectral transmittance data measured during the evaporation process, the refractive index of a solid particle in the host liquid can be determined as a function of the wavelength. The method was tested using calcium fluoride (CaF 2 ) particles with an immersion liquid mixed from diethyl ether and diffusion pump fluid. The dispersion data obtained were consistent with the literature values thus indicating the proper functioning of the proposed procedure.

Effect of gold nanoparticles on structure and dynamics of binary Lennard-Jones liquid: Wave-vector space analysis

NASA Astrophysics Data System (ADS)

Separdar, L.; Davatolhagh, S.

2016-12-01

Molecular dynamics simulations at constant (N , V , T) are used to study the mutual effects of gold nanoparticles on the structure and dynamics of Kob-Andersen binary Lennard-Jones (BLJ) liquid within the framework of mode coupling theory of dynamic glass transition in the reciprocal space. The results show the 'softening' effect of the gold nanoparticles on the liquid dynamics in terms of (i) reducing the mode coupling crossover temperature Tc with respect to that of the bulk BLJ (i.e. BLJ without nanoparticles), (ii) decreasing the time interval of β-relaxation, and (iii) decreasing the exponent γ characterizing the power-law behavior of the α-relaxation time. This softening effect is explained in terms of the van der Waals attraction between the gold atoms comprising the nanoparticle and the BLJ host atoms, such that adsorption of host atoms onto the nanoparticle surface creates more space or free-volume for the other atoms to diffuse. By the same token interactions of purely excluded-volume-type are expected to result in the opposite effect. It is also noted that, much unlike BLJ host particles, the dynamics of gold nanoparticles is much less dependent on the wave-vector and that it exhibits a nearly exponential behavior in the α-relaxation regime.

Thermophysical property of undercooled liquid binary alloy composed of metallic and semiconductor elements

NASA Astrophysics Data System (ADS)

Wang, H. P.; Wei, B.

2009-02-01

The thermophysical properties of the liquid Ni-Si binary alloy system were investigated by the molecular dynamics method. The properties investigated include density, excessive volume, enthalpy, mixing enthalpy and specific heat at both superheated and undercooled states. It is found that the density decreases with an increase in the Si content, and so do the temperature coefficients. If the Si content is smaller than 30%, the density changes linearly with the temperature. If it is larger than 30%, the density is a quadratic function of the temperature. The simulated enthalpies of different composition alloys increase linearly with a rise in temperature. This indicates that the specific heats of Ni-Si alloys change little with temperature. The specific heat versus composition first decreases to a minimum value at 50% Si, then experiences a rise to a maximum value at 90% Si and finally falls again. According to the excessive volume and mixing enthalpy, it can be deduced that the Ni-Si alloy system seriously deviates from the ideal solution. Moreover, a comparison was also performed between the present results and the approximated values by the Neumann-Kopp rule. It reveals that this work provides reasonable data in a broad temperature range, especially for the metastable undercooled liquid state.

Producing liquid oxygen in the classroom

NASA Astrophysics Data System (ADS)

Williams, David; Warden, Nicole; Wharton, Barry

2016-09-01

A number of organisations have provided instructions on how to produce small quantities of liquid oxygen in the classroom using liquid nitrogen and a copper condensation coil (Lister 1995 Classic Chemistry Demonstrations (London: Royal Society of Chemistry) pp 61-2, French and Hibbert 2010 Phys. Educ. 45 221-2). The method presented below describes a process which is believed to be safer as it contains the oxygen during production and produces a controllable amount of the liquid. The method also has the advantage that it can be conducted using cheap and easily available materials.

Benard and Marangoni convection in multiple liquid layers

NASA Technical Reports Server (NTRS)

Koster, Jean N.; Prakash, A.; Fujita, D.; Doi, T.

1992-01-01

Convective fluid dynamics of immiscible double and triple liquid layers are considered. First results on multilayer convective flow, in preparation for spaceflight experiment aboard IML-2 (International Microgravity Laboratory), are discussed. Convective flow in liquid layers with one or two horizontal interfaces with heat flow applied parallel to them is one of the systems investigated. The second system comprises two horizontally layered immiscible liquids heated from below and cooled from above, that is, heat flow orthogonal to the interface. In this system convection results due to the classical Benard instability.

Phase Equilibrium Investigation on 2-Phenylethanol in Binary and Ternary Systems: Influence of High Pressure on Density and Solid-Liquid Phase Equilibrium.

PubMed

Domańska, Urszula; Królikowski, Marek; Wlazło, Michał; Więckowski, Mikołaj

2018-05-30

Ionic liquids (ILs) are important new solvents proposed for applications in different separation processes. Herein, an idea of possible use of high pressure in a general strategy of production of 2-phenylethanol (PEA) is discussed. In this work, we present the influence of pressure on the density in binary systems of {1-hexyl-1-methylpyrrolidynium bis{(trifluoromethyl)sulfonyl}imide, [HMPYR][NTf 2 ], or 1-dodecyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [DoMIM][NTf 2 ] + PEA} in a wide range of temperatures (298.15-348.15 K) and pressures (0.1-40 MPa). The densities at ambient and high pressures are measured to present the physicochemical properties of the ILs used in the process of separation of PEA from aqueous phase. The Tait equation was used for the correlation of density of one-component and two-component systems as a function of mole fraction, temperature, and pressure. The influence of pressure is not significant. These systems exhibit mainly negative molar excess volumes, V E . The solid-liquid phase equilibrium (SLE) of [DoMIM][NTf 2 ] in PEA at atmospheric pressure was measured and compared to the SLE high-pressure results. Additionally, the ternary liquid-liquid phase equilibrium (LLE) at ambient pressure in the {[DoMIM][NTf 2 ] (1) + PEA (2) + water (3)} at temperature T = 308.15 K was investigated. The solubility of water in the [DoMIM][NTf 2 ] is quite high in comparison with that measured by us earlier for ILs ( x 3 = 0.403) at T = 308.15 K, which results in not very successful average selectivity of extraction of PEA from the aqueous phase. The [DoMIM][NTf 2 ] has shown strong interaction with PEA without the immiscibility region. The ternary system revealed Treybal's type phase equilibrium in which two partially miscible binaries ([DoMIM][NTf 2 ] + water) and (PEA + water) exist. From the results of LLE in the ternary system, the selectivity and the solute distribution ratio of separation of water/PEA were calculated and compared to the results obtained for the ILs measured earlier by us. The popular NRTL model was used to correlate the experimental tie-lines in ternary LLE. These results may help in a new technological project of "in situ" extraction of PEA from aqueous phase during the biosynthesis.

Structural and electronic transport properties of compound forming HgPb liquid alloy using ab-initio pseudopotential

NASA Astrophysics Data System (ADS)

Sharma, Nalini; Thakur, Anil; Ahluwalia, P. K.

2013-02-01

The electrical resistivity of compound forming liquid alloy HgPb is studied as a function of concentration. Hard sphere diameters of Hg and Pb are obtained through the inter-ionic pair potential evaluated using Troullier and Martins ab initio pseudopotential, which have been used to calculate partial structure factors. Considering the liquid alloy to be a ternary mixture Ziman's formula for calculating the resistivity of binary liquid alloys, modified for complex formation, has been used. The concentration dependence in resistivity occurs due to preferential ordering of unlike atoms as nearest neighbours with help of complex formation model. Though the compound HgiPbi as per structure peaks is found to be less stable. However it contributes significantly to resistivity as compared to bare ions.

Optofluidic lens actuated by laser-induced solutocapillary forces

NASA Astrophysics Data System (ADS)

Malyuk, A. Yu.; Ivanova, N. A.

2017-06-01

We demonstrate an adaptive liquid lens controlled by laser-induced solutocapillary forces. The liquid droplet serving as a lens is formed in a thin layer of binary liquid mixture by surface tension driven flows caused by the thermal action of laser irradiation. The shape of droplet, its aperture and the focal length are reversibly changed without hysteresis by varying the intensity of the laser beam. The focal length variation range of the droplet-lens lies in between infinity (a flat layer) to 15 mm (a curved interface). The droplet-lens is capable to adjust the in-plane lateral position in response to a displacement of the laser beam. The proposed laser controlled droplet-lens will enable to develop smart liquid optical devices, which can imitate the accommodation reflex and pupillary light reflex of the eye.

Far-infrared study of the mechanochemically synthesized Cu2FeSnS4 (stannite) nanocrystals

NASA Astrophysics Data System (ADS)

Trajic, J.; Romcevic, M.; Paunovic, N.; Curcic, M.; Balaz, P.; Romcevic, N.

2018-05-01

The analysis of the optical properties of mechanochemically synthesized stannite Cu2FeSnS4 nanocrystals has been performed using far-infrared spectroscopy. The Cu2FeSnS4 stannite nanocrystals were synthesized mechanochemically from elemental precursors Cu, Fe, Sn, and S. Milling time was 45, 60, 90 and 120 min. Reflectivity spectra were analyzed using the classical form of the dielectric function, which includes the phonon and the free carrier contribution. The influence of milling time on synthesis of stannite Cu2FeSnS4 is observed. Among the modes that are characteristic for the stannite Cu2FeSnS4, we registered the modes of binary phases of FeS and SnS. The total disappearance of the binary phases of FeS and SnS and forming pure Cu2FeSnS4 is observed when the milling time is 120 min. Effective permittivity of Cu2FeSnS4 and binary phases of FeS and SnS were modeled by Maxwell - Garnet approximation.

Raman bandshape analysis on CH and CSC stretching modes of dimethyl sulfoxide in liquid binary mixture: comparative study with quantum-chemical calculations.

PubMed

Upadhyay, Ganesh; Gomti Devi, Th

2014-12-10

The interacting nature of dimethyl sulfoxide (DMSO) in binary mixtures has been carried out on CH and CSC stretching modes of vibration using chloroform (CLF), chloroform-d (CLFd), acetonitrile (ACN) and acetonitrile-d3 (ACNd) solvents. Peak frequencies of both the stretching modes show blue shift with the increase in solvent concentration. Variation of Raman bandwidth with the solvent concentration was discussed using different mechanisms. Ab initio calculation for geometry optimization and vibrational wavenumber calculation have been performed on monomer and dimer structures of DMSO to explain the experimentally observed Raman spectra. Theoretically calculated values are found in good agreement with the experimental results. Vibrational and reorientational relaxation times have been studied corresponding to solvent concentrations to elucidate the interacting mechanisms of binary mixtures. Copyright © 2014 Elsevier B.V. All rights reserved.

Kilohertz binary phase modulator for pulsed laser sources using a digital micromirror device.

PubMed

Hoffmann, Maximilian; Papadopoulos, Ioannis N; Judkewitz, Benjamin

2018-01-01

The controlled modulation of an optical wavefront is required for aberration correction, digital phase conjugation, or patterned photostimulation. For most of these applications, it is desirable to control the wavefront modulation at the highest rates possible. The digital micromirror device (DMD) presents a cost-effective solution to achieve high-speed modulation and often exceeds the speed of the more conventional liquid crystal spatial light modulator but is inherently an amplitude modulator. Furthermore, spatial dispersion caused by DMD diffraction complicates its use with pulsed laser sources, such as those used in nonlinear microscopy. Here we introduce a DMD-based optical design that overcomes these limitations and achieves dispersion-free high-speed binary phase modulation. We show that this phase modulation can be used to switch through binary phase patterns at the rate of 20 kHz in two-photon excitation fluorescence applications.

Kilohertz binary phase modulator for pulsed laser sources using a digital micromirror device

NASA Astrophysics Data System (ADS)

Hoffmann, Maximilian; Papadopoulos, Ioannis N.; Judkewitz, Benjamin

2018-01-01

The controlled modulation of an optical wavefront is required for aberration correction, digital phase conjugation or patterned photostimulation. For most of these applications it is desirable to control the wavefront modulation at the highest rates possible. The digital micromirror device (DMD) presents a cost-effective solution to achieve high-speed modulation and often exceeds the speed of the more conventional liquid crystal spatial light modulator, but is inherently an amplitude modulator. Furthermore, spatial dispersion caused by DMD diffraction complicates its use with pulsed laser sources, such as those used in nonlinear microscopy. Here we introduce a DMD-based optical design that overcomes these limitations and achieves dispersion-free high-speed binary phase modulation. We show that this phase modulation can be used to switch through binary phase patterns at the rate of 20 kHz in two-photon excitation fluorescence applications.

A Study of The Binary and Anomalous Stellar Populations in Two Intermediate-Aged Open Clusters

NASA Astrophysics Data System (ADS)

Mathieu, Robert D.; Milliman, Katelyn; Geller, Aaron M.; Gosnell, Natalie

2010-08-01

``Anomalous'' stars, such as blue stragglers and more recently sub- subgiants, have been an enduring challenge for stellar evolution theory. It is now clear that in star clusters these systems are closely linked to the binary star populations. Furthermore, sophisticated N-body models show that stellar dynamical processes play a central role in the formation of such anomalous stars. These stars trace the interface between the classical fields of stellar evolution and stellar dynamics. We propose to expand our highly successful radial-velocity survey to include two new rich open clusters NGC 7789 (1.8 Gyr, -0.1 dex) and NGC 2506 (2.1 Gyr, -0.4 dex) as part of the WIYN Open Cluster Study (WOCS). Though these two clusters are both of intermediate age and of similar richness, they have quite different blue straggler populations. NGC 2506 has only 10 known blue stragglers, while NGC 7789 has at least 27, among the largest known populations of blue stragglers in an open cluster. Defining the hard-binary populations in these two clusters is critical for understanding the factors that determine blue straggler production rates. Our proposed observations will establish the hard- binary fraction and frequency distributions of orbital parameters (periods, eccentricities, mass-ratios, etc.) for orbital periods approaching the hard-soft boundary, and will provide a comprehensive survey of the blue stragglers and other anomalous stars, including secure cluster memberships and binary properties. These data will then form direct constraints for detailed N-body open cluster simulations from which we will study the impact of the hard-binary population on the production rates and mechanisms of blue stragglers.

EVOLUTION OF CATACLYSMIC VARIABLES AND RELATED BINARIES CONTAINING A WHITE DWARF

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

Kalomeni, B.; Rappaport, S.; Molnar, M.

We present a binary evolution study of cataclysmic variables (CVs) and related systems with white dwarf (WD) accretors, including for example, AM CVn systems, classical novae, supersoft X-ray sources (SXSs), and systems with giant donor stars. Our approach intentionally avoids the complications associated with population synthesis algorithms, thereby allowing us to present the first truly comprehensive exploration of all of the subsequent binary evolution pathways that zero-age CVs might follow (assuming fully non-conservative, Roche-lobe overflow onto an accreting WD) using the sophisticated binary stellar evolution code MESA. The grid consists of 56,000 initial models, including 14 WD accretor masses, 43more » donor-star masses (0.1–4.7 M {sub ⊙}), and 100 orbital periods. We explore evolution tracks in the orbital period and donor-mass ( P {sub orb}– M {sub don}) plane in terms of evolution dwell times, masses of the WD accretor, accretion rate, and chemical composition of the center and surface of the donor star. We report on the differences among the standard CV tracks, those with giant donor stars, and ultrashort period systems. We show where in parameter space one can expect to find SXSs, present a diagnostic to distinguish among different evolutionary paths to forming AM CVn binaries, quantify how the minimum orbital period in CVs depends on the chemical composition of the donor star, and update the P {sub orb}( M {sub wd}) relation for binaries containing WDs whose progenitors lost their envelopes via stable Roche-lobe overflow. Finally, we indicate where in the P {sub orb}– M {sub don} the accretion disks will tend to be stable against the thermal-viscous instability, and where gravitational radiation signatures may be found with LISA.« less

Evolution of Cataclysmic Variables and Related Binaries Containing a White Dwarf

NASA Astrophysics Data System (ADS)

Kalomeni, B.; Nelson, L.; Rappaport, S.; Molnar, M.; Quintin, J.; Yakut, K.

2016-12-01

We present a binary evolution study of cataclysmic variables (CVs) and related systems with white dwarf (WD) accretors, including for example, AM CVn systems, classical novae, supersoft X-ray sources (SXSs), and systems with giant donor stars. Our approach intentionally avoids the complications associated with population synthesis algorithms, thereby allowing us to present the first truly comprehensive exploration of all of the subsequent binary evolution pathways that zero-age CVs might follow (assuming fully non-conservative, Roche-lobe overflow onto an accreting WD) using the sophisticated binary stellar evolution code MESA. The grid consists of 56,000 initial models, including 14 WD accretor masses, 43 donor-star masses (0.1-4.7 M ⊙), and 100 orbital periods. We explore evolution tracks in the orbital period and donor-mass (P orb-M don) plane in terms of evolution dwell times, masses of the WD accretor, accretion rate, and chemical composition of the center and surface of the donor star. We report on the differences among the standard CV tracks, those with giant donor stars, and ultrashort period systems. We show where in parameter space one can expect to find SXSs, present a diagnostic to distinguish among different evolutionary paths to forming AM CVn binaries, quantify how the minimum orbital period in CVs depends on the chemical composition of the donor star, and update the P orb(M wd) relation for binaries containing WDs whose progenitors lost their envelopes via stable Roche-lobe overflow. Finally, we indicate where in the P orb-M don the accretion disks will tend to be stable against the thermal-viscous instability, and where gravitational radiation signatures may be found with LISA.

Liquid-metal binary cycles for stationary power

NASA Technical Reports Server (NTRS)

Gutstein, M.; Furman, E. R.; Kaplan, G. M.

1975-01-01

The use of topping cycles to increase electric power plant efficiency is discussed, with particular attention to mercury and alkali metal Rankine cycle systems that could be considered for topping cycle applications. An overview of this technology, possible system applications, the required development, and possible problem areas is presented.

The simultaneous mass and energy evaporation (SM2E) model.

PubMed

Choudhary, Rehan; Klauda, Jeffery B

2016-01-01

In this article, the Simultaneous Mass and Energy Evaporation (SM2E) model is presented. The SM2E model is based on theoretical models for mass and energy transfer. The theoretical models systematically under or over predicted at various flow conditions: laminar, transition, and turbulent. These models were harmonized with experimental measurements to eliminate systematic under or over predictions; a total of 113 measured evaporation rates were used. The SM2E model can be used to estimate evaporation rates for pure liquids as well as liquid mixtures at laminar, transition, and turbulent flow conditions. However, due to limited availability of evaporation data, the model has so far only been tested against data for pure liquids and binary mixtures. The model can take evaporative cooling into account and when the temperature of the evaporating liquid or liquid mixture is known (e.g., isothermal evaporation), the SM2E model reduces to a mass transfer-only model.

Diffusion of multi-isotopic chemical species in molten silicates

NASA Astrophysics Data System (ADS)

Watkins, James M.; Liang, Yan; Richter, Frank; Ryerson, Frederick J.; DePaolo, Donald J.

2014-08-01

Diffusion experiments in a simplified Na2O-CaO-SiO2 liquid system are used to develop a general formulation for the fractionation of Ca isotopes during liquid-phase diffusion. Although chemical diffusion is a well-studied process, the mathematical description of the effects of diffusion on the separate isotopes of a chemical element is surprisingly underdeveloped and uncertain. Kinetic theory predicts a mass dependence on isotopic mobility, but it is unknown how this translates into a mass dependence on effective binary diffusion coefficients, or more generally, the chemical diffusion coefficients that are housed in a multicomponent diffusion matrix. Our experiments are designed to measure Ca mobility, effective binary diffusion coefficients, the multicomponent diffusion matrix, and the effects of chemical diffusion on Ca isotopes in a liquid of single composition. We carried out two chemical diffusion experiments and one self-diffusion experiment, all at 1250 °C and 0.7 GPa and using a bulk composition for which other information is available from the literature. The self-diffusion experiment is used to determine the mobility of Ca in the absence of diffusive fluxes of other liquid components. The chemical diffusion experiments are designed to determine the effect on Ca isotope fractionation of changing the counter-diffusing component from fast-diffusing Na2O to slow-diffusing SiO2. When Na2O is the main counter-diffusing species, CaO diffusion is fast and larger Ca isotopic effects are generated. When SiO2 is the main counter-diffusing species, CaO diffusion is slow and smaller Ca isotopic effects are observed. In both experiments, the liquid is initially isotopically homogeneous, and during the experiment Ca isotopes become fractionated by diffusion. The results are used as a test of a new general expression for the diffusion of isotopes in a multicomponent liquid system that accounts for both self diffusion and the effects of counter-diffusing species. Our results show that (1) diffusive isotopic fractionations depend on the direction of diffusion in composition space, (2) diffusive isotopic fractionations scale with effective binary diffusion coefficient, as previously noted by Watkins et al. (2011), (3) self-diffusion is not decoupled from chemical diffusion, (4) self diffusion can be faster than or slower than chemical diffusion and (5) off-diagonal terms in the chemical diffusion matrix have isotopic mass-dependence. The results imply that relatively large isotopic fractionations can be generated by multicomponent diffusion even in the absence of large concentration gradients of the diffusing element. The new formulations for isotope diffusion can be tested with further experimentation and provide an improved framework for interpreting mass-dependent isotopic variations in natural liquids.

Viscosities of nonelectrolyte liquid mixtures. II. Binary mixtures of n-hexane with alkanoates and bromoalkanoates

NASA Astrophysics Data System (ADS)

Oswal, S. L.; Dave, J. P.

1992-11-01

Viscosity measurements are reported for mixtures of ethyl ethanoate, ethyl propionate, ethyl butyrate, ethyl-2-bromopropionate, ethyl-3-bromopropionate, ethyl-2-bromobutyrate, and ethyl-4-bromobutyrate with n-hexane at 303.15 K. The viscosity data have been correlated with equations of Grunberg and Nissan, of McAllister, and of Auslaender. Furthermore, excess Gibbs energies of activation ΔG * E of viscous flow have been calculated with Eyring's theory of absolute reaction rates and values of ΔG * E for the present binary mixtures have been explained in terms of the dipole-dipole interaction in alkanoates and the intramolecular Br...O interaction in bromoalkanoates.

Transport properties of nonelectrolyte liquid mixtures—VI. Viscosimetric study of binary mixtures of hexafluorobenzene with aromatic hydrocarbons

NASA Astrophysics Data System (ADS)

Dymond, J. H.; Robertson, J.

1985-01-01

Viscosity coefficients for binary mixtures of hexafluorobenzene with benzene, toluene, para-xylene, and mesitylene have been measured along the saturation line at temperatures from 15 to 120°C using specially designed capillary viscometers. Densities were measured using a pyknometer and volume-change apparatus. Deviations of the viscosities from a rectilinear dependence on mole fraction are consistent with enhanced interactions between unlike species, which increase with increasing number of methyl groups on the aromatic hydrocarbon and decrease with increasing temperature. The application of the Grunberg and Nissan equation, the Hildebrand equation, and energy of activation theories to these results is examined.

Numerical model for dendritic solidification of binary alloys

NASA Technical Reports Server (NTRS)

Felicelli, S. D.; Heinrich, J. C.; Poirier, D. R.

1993-01-01

A finite element model capable of simulating solidification of binary alloys and the formation of freckles is presented. It uses a single system of equations to deal with the all-liquid region, the dendritic region, and the all-solid region. The dendritic region is treated as an anisotropic porous medium. The algorithm uses the bilinear isoparametric element, with a penalty function approximation and a Petrov-Galerkin formulation. Numerical simulations are shown in which an NH4Cl-H2O mixture and a Pb-Sn alloy melt are cooled. The solidification process is followed in time. Instabilities in the process can be clearly observed and the final compositions obtained.

Vapor-liquid equilibria for 1,1,1,2-tetrafluoroethane + 1-chloro-1,2,2,2-tetrafluoroethane and 1-chloro-1,2,2,2-tetrafluoroethane + 1-chloro-1,1-difluoroethane systems

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

Lee, J.; Lee, J.; Kim, H.

1996-07-01

Isothermal vapor-liquid equilibria were determined for two binary mixtures of refrigerants with a circulation type apparatus. The 1,1,1,2-tetrafluoroethane (HFC-134a) + 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) system was studied at 296.45, 302.25, and 307.25 K. The 1-chloro-1,2,2,2-tetrafluoroethane (HCFC-124) + 1-chloro-1,1-difluoroethane (HCFC-142b) system was studied at 298.15 and 312.15 K. At each temperature, the pressure and vapor and liquid compositions were measured. Results were correlated with the Peng-Robinson equation of state.

Critical behavior of dilute NaCl in H2O

USGS Publications Warehouse

Pitzer, Kenneth S.; Bischoff, J.L.; Rosenbauer, R.J.

1987-01-01

The compositions of the saturated vapor and liquid phases are measured for the system NaCl-H2O at 380??C, which is close to the critical point of pure water. The shape of the phase equilibrium curve is classical, which confirms a conclusion reached earlier on the basis of less accurate data. This implies that the long-range forces introduced by the NaCl suppress the non-classical effects present in pure H2O. An empirical equation of a classical type fits these data. ?? 1987.

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7

PubMed Central

Tokiwa, Y.; Yamashita, T.; Udagawa, M.; Kittaka, S.; Sakakibara, T; Terazawa, D.; Shimoyama, Y.; Terashima, T.; Yasui, Y.; Shibauchi, T.; Matsuda, Y.

2016-01-01

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids. PMID:26912080

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7.

PubMed

Tokiwa, Y; Yamashita, T; Udagawa, M; Kittaka, S; Sakakibara, T; Terazawa, D; Shimoyama, Y; Terashima, T; Yasui, Y; Shibauchi, T; Matsuda, Y

2016-02-25

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids.

Elementary excitations and crossover phenomenon in liquids.

PubMed

Iwashita, T; Nicholson, D M; Egami, T

2013-05-17

The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short lived and marginalized. In this Letter through classical and ab initio molecular dynamics simulations of the liquid state of various metallic systems we show that different excitations, the local configurational excitations in the atomic connectivity network, are the elementary excitations in high temperature metallic liquids. We also demonstrate that the competition between the configurational excitations and phonons determines the so-called crossover phenomenon in liquids. These discoveries open the way to the explanation of various complex phenomena in liquids, such as fragility and the rapid increase in viscosity toward the glass transition, in terms of these excitations.

"Bligh and Dyer" and Folch Methods for Solid-Liquid-Liquid Extraction of Lipids from Microorganisms. Comprehension of Solvatation Mechanisms and towards Substitution with Alternative Solvents.

PubMed

Breil, Cassandra; Abert Vian, Maryline; Zemb, Thomas; Kunz, Werner; Chemat, Farid

2017-03-27

Bligh and Dyer (B & D) or Folch procedures for the extraction and separation of lipids from microorganisms and biological tissues using chloroform/methanol/water have been used tens of thousands of times and are "gold standards" for the analysis of extracted lipids. Based on the Conductor-like Screening MOdel for realistic Solvatation (COSMO-RS), we select ethanol and ethyl acetate as being potentially suitable for the substitution of methanol and chloroform. We confirm this by performing solid-liquid extraction of yeast ( Yarrowia lipolytica IFP29 ) and subsequent liquid-liquid partition-the two steps of routine extraction. For this purpose, we consider similar points in the ternary phase diagrams of water/methanol/chloroform and water/ethanol/ethyl acetate, both in the monophasic mixtures and in the liquid-liquid miscibility gap. Based on high performance thin-layer chromatography (HPTLC) to obtain the distribution of lipids classes, and gas chromatography coupled with a flame ionisation detector (GC/FID) to obtain fatty acid profiles, this greener solvents pair is found to be almost as effective as the classic methanol-chloroform couple in terms of efficiency and selectivity of lipids and non-lipid material. Moreover, using these bio-sourced solvents as an alternative system is shown to be as effective as the classical system in terms of the yield of lipids extracted from microorganism tissues, independently of their apparent hydrophilicity.

Kinetics of binary nucleation of vapors in size and composition space.

PubMed

Fisenko, Sergey P; Wilemski, Gerald

2004-11-01

We reformulate the kinetic description of binary nucleation in the gas phase using two natural independent variables: the total number of molecules g and the molar composition x of the cluster. The resulting kinetic equation can be viewed as a two-dimensional Fokker-Planck equation describing the simultaneous Brownian motion of the clusters in size and composition space. Explicit expressions for the Brownian diffusion coefficients in cluster size and composition space are obtained. For characterization of binary nucleation in gases three criteria are established. These criteria establish the relative importance of the rate processes in cluster size and composition space for different gas phase conditions and types of liquid mixtures. The equilibrium distribution function of the clusters is determined in terms of the variables g and x. We obtain an approximate analytical solution for the steady-state binary nucleation rate that has the correct limit in the transition to unary nucleation. To further illustrate our description, the nonequilibrium steady-state cluster concentrations are found by numerically solving the reformulated kinetic equation. For the reformulated transient problem, the relaxation or induction time for binary nucleation was calculated using Galerkin's method. This relaxation time is affected by processes in both size and composition space, but the contributions from each process can be separated only approximately.

Phase equilibria of chlorofluorocarbon alternative refrigerant mixtures

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

Lee, B.G.; Park, J.Y.; Lim, J.S.

1999-03-01

Isothermal vapor-liquid equilibrium data were determined for binary systems of difluoromethane/1,1,1,2-tetrafluoroethane (HFC-32/HFC-134a), difluoromethane/pentafluoroethane (HFC-32/HFC-125), difluoromethane/1,1,1-trifluoroethane (HFC-32/HFC-143A), and difluoromethane/1,1-difluoroethane (HFC-32/HFC-152a). The vapor and liquid compositions and pressures were measured in a circulation-type apparatus at 303.15 K and 323.15 K. The experimental data were compared with literature results and correlated with the Canahan-Starling-De Santis equation of state within the uncertainty of {+-}1.0%.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-03-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

Relaxation dynamics in a binary hard-ellipse liquid.

PubMed

Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia

2015-01-21

Structural relaxation in binary hard spherical particles has been shown recently to exhibit a wealth of remarkable features when size disparity or mixture composition is varied. In this paper, we test whether or not similar dynamical phenomena occur in glassy systems composed of binary hard ellipses. We demonstrate via event-driven molecular dynamics simulation that a binary hard-ellipse mixture with an aspect ratio of two and moderate size disparity displays characteristic glassy dynamics upon increasing density in both the translational and the rotational degrees of freedom. The rotational glass transition density is found to be close to the translational one for the binary mixtures investigated. More importantly, we assess the influence of size disparity and mixture composition on the relaxation dynamics. We find that an increase of size disparity leads, both translationally and rotationally, to a speed up of the long-time dynamics in the supercooled regime so that both the translational and the rotational glass transition shift to higher densities. By increasing the number concentration of the small particles, the time evolution of both translational and rotational relaxation dynamics at high densities displays two qualitatively different scenarios, i.e., both the initial and the final part of the structural relaxation slow down for small size disparity, while the short-time dynamics still slows down but the final decay speeds up in the binary mixture with large size disparity. These findings are reminiscent of those observed in binary hard spherical particles. Therefore, our results suggest a universal mechanism for the influence of size disparity and mixture composition on the structural relaxation in both isotropic and anisotropic particle systems.

An experimental study on particle effects in liquid sheets

NASA Astrophysics Data System (ADS)

Sauret, Alban; Troger, Anthony; Jop, Pierre

2017-06-01

Many industrial processes, such as surface coating or liquid transport in tubes, involve liquid sheets or thin films of suspensions. In these situations, the thickness of the liquid film becomes comparable to the particle size, which leads to unexpected dynamics. In addition, the classical constitutive rheological law for suspensions cannot be applied as the continuum approximation is no longer valid. Here, we consider experimentally a transient particle-laden liquid sheet that expands radially. We characterize the influence of the particles on the shape of the liquid film and the atomization process. We highlight that the presence of particles modifies the thickness and stability of the liquid sheet. Our study suggests that the influence of particles through capillary effects can modify significantly the dynamics of processes that involve suspensions and particles confined in liquid films.

Wave chaos in the elastic disk.

PubMed

Sondergaard, Niels; Tanner, Gregor

2002-12-01

The relation between the elastic wave equation for plane, isotropic bodies and an underlying classical ray dynamics is investigated. We study, in particular, the eigenfrequencies of an elastic disk with free boundaries and their connection to periodic rays inside the circular domain. Even though the problem is separable, wave mixing between the shear and pressure component of the wave field at the boundary leads to an effective stochastic part in the ray dynamics. This introduces phenomena typically associated with classical chaos as, for example, an exponential increase in the number of periodic orbits. Classically, the problem can be decomposed into an integrable part and a simple binary Markov process. Similarly, the wave equation can, in the high-frequency limit, be mapped onto a quantum graph. Implications of this result for the level statistics are discussed. Furthermore, a periodic trace formula is derived from the scattering matrix based on the inside-outside duality between eigenmodes and scattering solutions and periodic orbits are identified by Fourier transforming the spectral density.

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively.

PubMed

Ni, Yicun; Skinner, J L

2015-07-07

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm(-1) and a positive band centered at 1670 cm(-1). We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

NASA Astrophysics Data System (ADS)

Ni, Yicun; Skinner, J. L.

2015-07-01

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm-1 and a positive band centered at 1670 cm-1. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

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

Ni, Yicun; Skinner, J. L.

Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFGmore » spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm{sup −1} and a positive band centered at 1670 cm{sup −1}. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.« less

Applications of ionic liquids in biphasic separation: Aqueous biphasic systems and liquid-liquid equilibria.

PubMed

Shukla, Shashi Kant; Pandey, Shubha; Pandey, Siddharth

2018-07-20

Ionic liquids (ILs) have been receiving much attention in many fields of analytical chemistry because of their various interesting properties which distinguish them from volatile organic compounds. They offer both directional and non-directional forces towards a solute molecule and therefore act as excellent solvents for a wide range of polar and non-polar compounds. Because of the presence of various possible interactions, ILs easily undergo biphasic separation with water and other less polar/non-polar organic solvents. Their ability to create biphasic splitting makes them a promising candidate for liquid-liquid separation processes, such as aqueous biphasic systems and liquid-liquid equilibria. Various aspects of ILs in these separation methods are discussed in view of the origin of physical forces responsible for the biphasic interactions, the effect of structural components, temperature, pressure, pH and additives. The specific advantages of using ILs in aqueous biphasic systems and liquid-liquid equilibria in binary and ternary systems are discussed with a view to defining their future role in separation processes by giving major emphasis on developing non-toxic ILs with physical and solution properties tailored to the needs of specific sample preparation techniques. Copyright © 2017 Elsevier B.V. All rights reserved.

Rotational properties of the binary and non-binary populations in the trans-Neptunian belt

NASA Astrophysics Data System (ADS)

Thirouin, A.; Noll, K. S.; Ortiz, J. L.; Morales, N.

2014-09-01

We present results for the short-term variability of binary trans-Neptunian objects (BTNOs). We performed CCD photometric observations using the 3.58 m Telescopio Nazionale Galileo (TNG), the 1.5 m Sierra Nevada Observatory (OSN) telescope, and the 1.23 m Centro Astronómico Hispano Alemán (CAHA) telescope at Calar Alto Observatory. We present results based on five years of observations and report the short-term variability of six BTNOs. Our sample contains three classical objects: (174567) 2003 MW12, or Varda, (120347) 2004 SB60, or Salacia, and 2002 VT130; one detached disk object: (229762) 2007 UK126; and two resonant objects: (341520) 2007 TY430 and (38628) 2000 EB173, or Huya. For each target, possible rotational periods and/or photometric amplitudes are reported. We also derived some physical properties from their light curves, such as density, primary and secondary sizes, and albedo. We compiled and analyzed a vast light curve database for TNOs including centaurs to determine the light-curve amplitude and spin frequency distributions for the binary and non-binary populations. The mean rotational periods, from the Maxwellian fits to the frequency distributions, are 8.63 ± 0.52 h for the entire sample, 8.37 ± 0.58 h for the sample without the binary population, and 10.11 ± 1.19 h for the binary population alone. Because the centaurs are collisionally more evolved, their rotational periods might not be so primordial. We computed a mean rotational period, from the Maxwellian fit, of 8.86 ± 0.58 h for the sample without the centaur population, and of 8.64 ± 0.67 h considering a sample without the binary and the centaur populations. According to this analysis, regular TNOs spin faster than binaries, which is compatible with the tidal interaction of the binaries. Finally, we examined possible formation models for several systems studied in this work and by our team in previous papers. Appendix A is available in electronic form at http://www.aanda.orgFull Table 1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/569/A3

Exchanging the liquidity hypothesis: Delay discounting of money and self-relevant non-money rewards.

PubMed

Stuppy-Sullivan, Allison M; Tormohlen, Kayla N; Yi, Richard

2016-01-01

Evidence that primary rewards (e.g., food and drugs of abuse) are discounted more than money is frequently attributed to money's high degree of liquidity, or exchangeability for many commodities. The present study provides some evidence against this liquidity hypothesis by contrasting delay discounting of monetary rewards (liquid) and non-monetary commodities (non-liquid) that are self-relevant and utility-matched. Ninety-seven (97) undergraduate students initially completed a conventional binary-choice delay discounting of money task. Participants returned one week later and completed a self-relevant commodity delay discounting task. Both conventional hypothesis testing and more-conservative tests of statistical equivalence revealed correspondence in rate of delay discounting of money and self-relevant commodities, and in one magnitude condition, less discounting for the latter. The present results indicate that liquidity of money cannot fully account for the lower rate of delay discounting compared to non-money rewards. Copyright © 2015 Elsevier B.V. All rights reserved.

Sedimentation of a two-dimensional colloidal mixture exhibiting liquid-liquid and gas-liquid phase separation: a dynamical density functional theory study.

PubMed

Malijevský, Alexandr; Archer, Andrew J

2013-10-14

We present dynamical density functional theory results for the time evolution of the density distribution of a sedimenting model two-dimensional binary mixture of colloids. The interplay between the bulk phase behaviour of the mixture, its interfacial properties at the confining walls, and the gravitational field gives rise to a rich variety of equilibrium and non-equilibrium morphologies. In the fluid state, the system exhibits both liquid-liquid and gas-liquid phase separation. As the system sediments, the phase separation significantly affects the dynamics and we explore situations where the final state is a coexistence of up to three different phases. Solving the dynamical equations in two-dimensions, we find that in certain situations the final density profiles of the two species have a symmetry that is different from that of the external potentials, which is perhaps surprising, given the statistical mechanics origin of the theory. The paper concludes with a discussion on this.

LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments

NASA Astrophysics Data System (ADS)

Walter, Nathan P.; Jaiswal, Abhishek; Cai, Zhikun; Zhang, Yang

2018-07-01

Neutron scattering is a powerful experimental technique for characterizing the structure and dynamics of materials on the atomic or molecular scale. However, the interpretation of experimental data from neutron scattering is oftentimes not trivial, partly because scattering methods probe ensemble-averaged information in the reciprocal space. Therefore, computer simulations, such as classical and ab initio molecular dynamics, are frequently used to unravel the time-dependent atomistic configurations that can reproduce the scattering patterns and thus assist in the understanding of the microscopic origin of certain properties of materials. LiquidLib is a post-processing package for analyzing the trajectory of atomistic simulations of liquids and liquid-like matter with application to neutron scattering experiments. From an atomistic simulation, LiquidLib provides the computation of various statistical quantities including the pair distribution function, the weighted and unweighted structure factors, the mean squared displacement, the non-Gaussian parameter, the four-point correlation function, the velocity auto correlation function, the self and collective van Hove correlation functions, the self and collective intermediate scattering functions, and the bond orientational order parameter. LiquidLib analyzes atomistic trajectories generated from packages such as LAMMPS, GROMACS, and VASP. It also offers an extendable platform to conveniently integrate new quantities into the library and integrate simulation trajectories of other file formats for analysis. Weighting the quantities by element-specific neutron-scattering lengths provides results directly comparable to neutron scattering measurements. Lastly, LiquidLib is independent of dimensionality, which allows analysis of trajectories in two, three, and higher dimensions. The code is beginning to find worldwide use.

Dynamic of particle-laden liquid sheet

NASA Astrophysics Data System (ADS)

Sauret, Alban; Jop, Pierre; Troger, Anthony

2016-11-01

Many industrial processes, such as surface coating or liquid transport in tubes, involve liquid sheets or thin liquid films of suspensions. In these situations, the thickness of the liquid film becomes comparable to the particle size, which leads to unexpected dynamics. In addition, the classical constitutive rheological law cannot be applied as the continuum approximation is no longer valid. Here, we consider experimentally a transient free liquid sheet that expands radially. We characterize the influence of the particles on the shape of the liquid film as a function of time and the atomization process. We highlight that the presence of particles modifies the thickness and the stability of the liquid sheet. Our study suggests that the influence of particles through capillary effects can modify significantly the dynamics of processes that involve suspensions and particles confined in liquid films.

Rayleigh instability at small length scales.

PubMed

Gopan, Nandu; Sathian, Sarith P

2014-09-01

The Rayleigh instability (also called the Plateau-Rayleigh instability) of a nanosized liquid propane thread is investigated using molecular dynamics (MD). The validity of classical predictions at small length scales is verified by comparing the temporal evolution of liquid thread simulated by MD against classical predictions. Previous works have shown that thermal fluctuations become dominant at small length scales. The role and influence of the stochastic nature of thermal fluctuations in determining the instability at small length scale is also investigated. Thermal fluctuations are seen to dominate and accelerate the breakup process only during the last stages of breakup. The simulations also reveal that the breakup profile of nanoscale threads undergo modification due to reorganization of molecules by the evaporation-condensation process.

Quantum gas-liquid condensation in an attractive Bose gas

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

Koh, Shun-ichiro

Gas-liquid condensation (GLC) in an attractive Bose gas is studied on the basis of statistical mechanics. Using some results in combinatorial mathematics, the following are derived. (1) With decreasing temperature, the Bose-statistical coherence grows in the many-body wave function, which gives rise to the divergence of the grand partition function prior to Bose-Einstein condensation. It is a quantum-mechanical analogue to the GLC in a classical gas (quantum GLC). (2) This GLC is triggered by the bosons with zero momentum. Compared with the classical GLC, an incomparably weaker attractive force creates it. For the system showing the quantum GLC, we discussmore » a cold helium 4 gas at sufficiently low pressure.« less

On the Crossover from Classical to Fermi Liquid Behavior in Dense Plasmas

NASA Astrophysics Data System (ADS)

Daligault, Jerome

2017-10-01

We explore the crossover from classical plasma to quantum Fermi liquid behavior of electrons in dense plasmas. To this end, we analyze the evolution with density and temperature of the momentum lifetime of a test electron introduced in a dense electron gas. This allows us 1) to determine the boundaries of the crossover region in the temperature-density plane and to shed light on the evolution of scattering properties across it, 2) to quantify the role of the fermionic nature of electrons on electronic collisions across the crossover region, and 3) to explain how the concept of Coulomb logarithm emerges at high enough temperature but disappears at low enough temperature. Work supported by LDRD Grant No. 20170490ER.

Content based image retrieval using local binary pattern operator and data mining techniques.

PubMed

Vatamanu, Oana Astrid; Frandeş, Mirela; Lungeanu, Diana; Mihalaş, Gheorghe-Ioan

2015-01-01

Content based image retrieval (CBIR) concerns the retrieval of similar images from image databases, using feature vectors extracted from images. These feature vectors globally define the visual content present in an image, defined by e.g., texture, colour, shape, and spatial relations between vectors. Herein, we propose the definition of feature vectors using the Local Binary Pattern (LBP) operator. A study was performed in order to determine the optimum LBP variant for the general definition of image feature vectors. The chosen LBP variant is then subsequently used to build an ultrasound image database, and a database with images obtained from Wireless Capsule Endoscopy. The image indexing process is optimized using data clustering techniques for images belonging to the same class. Finally, the proposed indexing method is compared to the classical indexing technique, which is nowadays widely used.

Scheme for Entering Binary Data Into a Quantum Computer

NASA Technical Reports Server (NTRS)

Williams, Colin

2005-01-01

A quantum algorithm provides for the encoding of an exponentially large number of classical data bits by use of a smaller (polynomially large) number of quantum bits (qubits). The development of this algorithm was prompted by the need, heretofore not satisfied, for a means of entering real-world binary data into a quantum computer. The data format provided by this algorithm is suitable for subsequent ultrafast quantum processing of the entered data. Potential applications lie in disciplines (e.g., genomics) in which one needs to search for matches between parts of very long sequences of data. For example, the algorithm could be used to encode the N-bit-long human genome in only log2N qubits. The resulting log2N-qubit state could then be used for subsequent quantum data processing - for example, to perform rapid comparisons of sequences.

Inter-Longitude Astronomy (ILA) Project: Current Highlights And Perspectives. I. Magnetic vs. Non-Magnetic Interacting Binary Stars

NASA Astrophysics Data System (ADS)

Andronov, I. L.; Antoniuk, K. A.; Baklanov, A. V.; Breus, V. V.; Burwitz, V.; Chinarova, L. L.; Chochol, D.; Dubovsky, P. A.; Han, W.; Hegedus, T.; Henden, A.; Hric, L.; Chun-Hwey, Kim; Yonggi, Kim; Kolesnikov, S. V.; Kudzej, I.; Liakos, A.; Niarchos, P. G.; Oksanen, A.; Patkos, L.; Petrik, K.; Pit', N. V.; Shakhovskoy, N. M.; Virnina, N. A.; Yoon, J.; Zola, S.

2010-12-01

We present a review of highlights of our photometric and photo-polarimetric monitoring and mathematical modeling of interacting binary stars of different types classical, asynchronous, intermedi ate polars with 25 timescales corresponding to differ ent physical mechanisms and their combinations (part "Polar"); negative and positive superhumpers in nova- like and dwarf novae stars ("Superhumper"); symbiotic ("Symbiosis"); eclipsing variables with and without ev idence for a current mass transfer ("Eclipser") with a special emphasis on systems with a direct impact of the stream into the gainor star's atmosphere, which we propose to call "Impactors", or V361 Lyr-type stars. Other parts of the ILA project are "Stellar Bell" (pul sating variables of different types and periods - M, SR, RV Tau, RR Lyr, Delta Sct) and "New Variable".

Completion of the universal I-Love-Q relations in compact stars including the mass

NASA Astrophysics Data System (ADS)

Reina, Borja; Sanchis-Gual, Nicolas; Vera, Raül; Font, José A.

2017-09-01

In a recent paper, we applied a rigorous perturbed matching framework to show the amendment of the mass of rotating stars in Hartle's model. Here, we apply this framework to the tidal problem in binary systems. Our approach fully accounts for the correction to the Love numbers needed to obtain the universal I-Love-Q relations. We compute the corrected mass versus radius configurations of rotating quark stars, revisiting a classical paper on the subject. These corrections allow us to find a universal relation involving the second-order contribution to the mass δM. We thus complete the set of universal relations for the tidal problem in binary systems, involving four perturbation parameters, namely I, Love, Q and δM. These relations can be used to obtain the perturbation parameters directly from observational data.

Experimental study and thermodynamic modeling of the phase relation in the Fe-S-Si system with implications for the distribution of S and Si in a partially solidified core

NASA Astrophysics Data System (ADS)

Tao, R.; Fei, Y.

2017-12-01

Planetary cooling leads to solidification of any initially molten metallic core. Some terrestrial cores (e.g. Mercury) are formed and differentiated under relatively reduced conditions, and they are thought to be composed of Fe-S-Si. However, there are limited understanding of the phase relations in the Fe-S-Si system at high pressure and temperature. In this study, we conducted high-pressure experiments to investigate the phase relations in the Fe-S-Si system up to 25 GPa. Experimental results show that the liquidus and solidus in this study are slightly lower than those in the Fe-S binary system for the same S concentration in liquid at same pressure. The Fe3S, which is supposed to be the stable sub-solidus S-bearing phase in the Fe-S binary system above 17 GPa, is not observed in the Fe-S-Si system at 21 GPa. Almost all S prefers to partition into liquid, while the distribution of Si between solid and liquid depends on experimental P and T conditions. We obtained the partition coefficient log(KDSi) by fitting the experimental data as a function of P, T and S concentration in liquid. At a constant pressure, the log(KDSi) linearly decreases with 1/T(K). With increase of pressure, the slopes of linear correlation between log(KDSi) and 1/T(K) decreases, indicating that more Si partitions into solid at higher pressure. In order to interpolate and extrapolate the phase relations over a wide pressure and temperature range, we established a comprehensive thermodynamic model in the Fe-S-Si system. The results will be used to constrain the distribution of S and Si between solid inner core and liquid outer core for a range of planet sizes. A Si-rich solid inner core and a S-rich liquid outer core are suggested for an iron-rich core.

Interaction and dynamics of ionic liquids based on choline and amino acid anions

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

Campetella, M.; Bodo, E., E-mail: enrico.bodo@uniroma1.it; Caminiti, R., E-mail: ruggero.caminiti@uniroma1.it

2015-06-21

The combination of amino acid anions with the choline cation gives origin to a new and potentially important class of organic ionic liquids that might represent a viable and bio-compatible alternative with respect to the traditional ones. We present here a detailed study of the bulk phase of the prototype system composed of the simplest amino acid (alanine) anion and the choline cation, based on ab initio and classical molecular dynamics. Theoretical findings have been validated by comparing with accurate experimental X-ray diffraction data and infrared spectra. We find that hydrogen bonding (HB) features in these systems are crucial inmore » establishing their local geometric structure. We have also found that these HBs once formed are persistent and that the proton resides exclusively on the choline cation. In addition, we show that a classical force field description for this particular ionic liquid can be accurately performed by using a slightly modified version of the generalized AMBER force field.« less

Interaction and dynamics of ionic liquids based on choline and amino acid anions

NASA Astrophysics Data System (ADS)

Campetella, M.; Bodo, E.; Caminiti, R.; Martino, A.; D'Apuzzo, F.; Lupi, S.; Gontrani, L.

2015-06-01

The combination of amino acid anions with the choline cation gives origin to a new and potentially important class of organic ionic liquids that might represent a viable and bio-compatible alternative with respect to the traditional ones. We present here a detailed study of the bulk phase of the prototype system composed of the simplest amino acid (alanine) anion and the choline cation, based on ab initio and classical molecular dynamics. Theoretical findings have been validated by comparing with accurate experimental X-ray diffraction data and infrared spectra. We find that hydrogen bonding (HB) features in these systems are crucial in establishing their local geometric structure. We have also found that these HBs once formed are persistent and that the proton resides exclusively on the choline cation. In addition, we show that a classical force field description for this particular ionic liquid can be accurately performed by using a slightly modified version of the generalized AMBER force field.

Excitation of ship waves by a submerged object: New solution to the classical problem

NASA Astrophysics Data System (ADS)

Arzhannikov, A. V.; Kotelnikov, I. A.

2016-08-01

We have proposed a new method for solving the problem of ship waves excited on the surface of a nonviscous liquid by a submerged object that moves at a variable speed. As a first application of this method, we have obtained a new solution to the classic problem of ship waves generated by a submerged ball that moves rectilinearly with constant velocity parallel to the equilibrium surface of the liquid. For this example, we have derived asymptotic expressions describing the vertical displacement of the liquid surface in the limit of small and large values of the Froude number. The exact solution is presented in the form of two terms, each of which is reduced to one-dimensional integrals. One term describes the "Bernoulli hump" and another term the "Kelvin wedge." As a second example, we considered vertical oscillation of the submerged ball. In this case, the solution leads to the calculation of one-dimensional integral and describes surface waves propagating from the epicenter above the ball.

Excitation of ship waves by a submerged object: New solution to the classical problem.

PubMed

Arzhannikov, A V; Kotelnikov, I A

2016-08-01

We have proposed a new method for solving the problem of ship waves excited on the surface of a nonviscous liquid by a submerged object that moves at a variable speed. As a first application of this method, we have obtained a new solution to the classic problem of ship waves generated by a submerged ball that moves rectilinearly with constant velocity parallel to the equilibrium surface of the liquid. For this example, we have derived asymptotic expressions describing the vertical displacement of the liquid surface in the limit of small and large values of the Froude number. The exact solution is presented in the form of two terms, each of which is reduced to one-dimensional integrals. One term describes the "Bernoulli hump" and another term the "Kelvin wedge." As a second example, we considered vertical oscillation of the submerged ball. In this case, the solution leads to the calculation of one-dimensional integral and describes surface waves propagating from the epicenter above the ball.

Finding Maximum Cliques on the D-Wave Quantum Annealer

DOE PAGES

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg; ...

2018-05-03

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Finding Maximum Cliques on the D-Wave Quantum Annealer

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

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

A Study Of Anomalous Stars and Binary Populations Within Open Clusters: Tests Of Theoretical Models

NASA Astrophysics Data System (ADS)

Geller, Aaron M.; Mathieu, Robert D.; Braden, Ella; Latham, David W.

2008-08-01

``Anomalous'' stars, such as blue stragglers and more recently sub- subgiants, have been an enduring challenge for stellar evolution theory. Recently it has become clear that in star clusters these systems are closely linked to the binary star populations. Furthermore, through advances in N-body modeling, we have come to realize that stellar dynamical processes play a central role in the formation of such anomalous stars. Indeed, these stars trace the interface between the classical fields of stellar evolution and stellar dynamics. We propose a thesis study to directly probe this interface through high-precision radial-velocity measurements of the anomalous stars and the binary populations in four open clusters. We have selected NGC 188 (7 Gyr), M67 (NGC 2682; 4 Gyr), NGC 6819 (2.4 Gyr), and M35 (NGC 2168; 150 Myr), as these span a wide range in age, are rich enough to provide statistically significant conclusions, and already have an extensive base of kinematic, spectroscopic, and photometric observations from the WIYN Open Cluster Study. Our proposed observations will define the spectroscopic hard binary populations (fraction, frequency distributions of orbital parameters, mass ratios) for orbital periods approaching the hard-soft boundary. These observations will also provide a comprehensive survey for anomalous stars, including secure establishment of their cluster membership. These data will allow us to perform the first detailed comparison to predictions from open cluster simulations of the binary populations among normal and anomalous stars, and thereby to constrain the evolutionary paths from one to the other.

A Study Of Anomalous Stars and Binary Populations Within Open Clusters: Tests Of Theoretical Models

NASA Astrophysics Data System (ADS)

Geller, Aaron M.; Mathieu, Robert D.; Gosnell, Natalie; Latham, David W.

2009-02-01

``Anomalous'' stars, such as blue stragglers and more recently sub- subgiants, have been an enduring challenge for stellar evolution theory. Recently it has become clear that in star clusters these systems are closely linked to the binary star populations. Furthermore, through advances in N-body modeling, we have come to realize that stellar dynamical processes play a central role in the formation of such anomalous stars. Indeed, these stars trace the interface between the classical fields of stellar evolution and stellar dynamics. We propose a thesis study to directly probe this interface through high-precision radial-velocity measurements of the anomalous stars and the binary populations in four open clusters. We have selected NGC 188 (7 Gyr), M67 (NGC 2682; 4 Gyr), NGC 6819 (2.4 Gyr), and M35 (NGC 2168; 150 Myr), as these span a wide range in age, are rich enough to provide statistically significant conclusions, and already have an extensive base of kinematic, spectroscopic, and photometric observations from the WIYN Open Cluster Study. Our proposed observations will define the spectroscopic hard binary populations (fraction, frequency distributions of orbital parameters, mass ratios) for orbital periods approaching the hard-soft boundary. These observations will also provide a comprehensive survey for anomalous stars, including secure establishment of their cluster membership. These data will allow us to perform the first detailed comparison to predictions from open cluster simulations of the binary populations among normal and anomalous stars, and thereby to constrain the evolutionary paths from one to the other.

A Study Of Anomalous Stars and Binary Populations Within Open Clusters: Tests Of Theoretical Models

NASA Astrophysics Data System (ADS)

Geller, Aaron M.; Mathieu, Robert D.; Braden, Ella; Latham, David W.

2008-02-01

``Anomalous'' stars, such as blue stragglers and more recently sub- subgiants, have been an enduring challenge for stellar evolution theory. Recently it has become clear that in star clusters these systems are closely linked to the binary star populations. Furthermore, through advances in N-body modeling, we have come to realize that stellar dynamical processes play a central role in the formation of such anomalous stars. Indeed, these stars trace the interface between the classical fields of stellar evolution and stellar dynamics. We propose a thesis study to directly probe this interface through high-precision radial-velocity measurements of the anomalous stars and the binary populations in four open clusters. We have selected NGC 188 (7 Gyr), M67 (NGC 2682; 4 Gyr), NGC 6819 (2.4 Gyr), and M35 (NGC 2168; 150 Myr), as these span a wide range in age, are rich enough to provide statistically significant conclusions, and already have an extensive base of kinematic, spectroscopic, and photometric observations from the WIYN Open Cluster Study. Our proposed observations will define the spectroscopic hard binary populations (fraction, frequency distributions of orbital parameters, mass ratios) for orbital periods approaching the hard-soft boundary. These observations will also provide a comprehensive survey for anomalous stars, including secure establishment of their cluster membership. These data will allow us to perform the first detailed comparison to predictions from open cluster simulations of the binary populations among normal and anomalous stars, and thereby to constrain the evolutionary paths from one to the other.

Photometric Properties for Selected Algol-type Binaries. VIII. The Triple Systems DI Peg and AF Gem Revisited

NASA Astrophysics Data System (ADS)

Yang, Yuan-Gui; Yang, Ying; Li, Shu-Zheng

2014-06-01

New extensive photometry for two triple binary stars, DI Peg and AF Gem, was performed from 2012 October to 2013 January, with two small telescopes at Xinglong station (XLs) of NAOC. From new multi-color observations and previously published ones in literature, the photometric models were (re)deduced using the updated Wilson-Devinney code. The results indicated that the low third lights exist in two classic Algol-type binaries, whose fill-out factors for the more massive components are fp = 78.2(± 0.4)% for DI Peg, and fp = 69.0(± 0.3)% for AF Gem, respectively. Through analyzing the O-C curves, the orbital periods for two binaries change in the complicated mode. The period of DI Peg possibly appears to show two light-time orbits, whose modulated periods are P 3 = 54.6(± 0.5) yr and P 4 = 23.0(± 0.6) yr, respectively. The inferred minimum masses for the inner and outer sub-stellar companions are M in = 0.095 M ⊙ and M out = 0.170 M ⊙, respectively. Therefore, DI Peg may be a quadruple star. The orbital period of AF Gem appears to show a continuous period decrease or a cyclic variation; the latter may be preferable. The cyclic oscillation, with a period of 120.3(± 2.5) yr, may be attributed to the light-time effect due to the third body. This kind of additional companion may extract angular momentum from the central system, which may play a key role in the evolution of the binary.

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

Tofflemire, Benjamin M.; Mathieu, Robert D.; Ardila, David R.

The theory of binary star formation predicts that close binaries ( a < 100 au) will experience periodic pulsed accretion events as streams of material form at the inner edge of a circumbinary disk (CBD), cross a dynamically cleared gap, and feed circumstellar disks or accrete directly onto the stars. The archetype for the pulsed accretion theory is the eccentric, short-period, classical T Tauri binary DQ Tau. Low-cadence (∼daily) broadband photometry has shown brightening events near most periastron passages, just as numerical simulations would predict for an eccentric binary. Magnetic reconnection events (flares) during the collision of stellar magnetospheres nearmore » periastron could, however, produce the same periodic, broadband behavior when observed at a one-day cadence. To reveal the dominant physical mechanism seen in DQ Tau’s low-cadence observations, we have obtained continuous, moderate-cadence, multiband photometry over 10 orbital periods, supplemented with 27 nights of minute-cadence photometry centered on four separate periastron passages. While both accretion and stellar flares are present, the dominant timescale and morphology of brightening events are characteristic of accretion. On average, the mass accretion rate increases by a factor of five near periastron, in good agreement with recent models. Large variability is observed in the morphology and amplitude of accretion events from orbit to orbit. We argue that this is due to the absence of stable circumstellar disks around each star, compounded by inhomogeneities at the inner edge of the CBD and within the accretion streams themselves. Quasiperiodic apastron accretion events are also observed, which are not predicted by binary accretion theory.« less

A GDP-driven model for the binary and weighted structure of the International Trade Network

NASA Astrophysics Data System (ADS)

Almog, Assaf; Squartini, Tiziano; Garlaschelli, Diego

2015-01-01

Recent events such as the global financial crisis have renewed the interest in the topic of economic networks. One of the main channels of shock propagation among countries is the International Trade Network (ITN). Two important models for the ITN structure, the classical gravity model of trade (more popular among economists) and the fitness model (more popular among networks scientists), are both limited to the characterization of only one representation of the ITN. The gravity model satisfactorily predicts the volume of trade between connected countries, but cannot reproduce the missing links (i.e. the topology). On the other hand, the fitness model can successfully replicate the topology of the ITN, but cannot predict the volumes. This paper tries to make an important step forward in the unification of those two frameworks, by proposing a new gross domestic product (GDP) driven model which can simultaneously reproduce the binary and the weighted properties of the ITN. Specifically, we adopt a maximum-entropy approach where both the degree and the strength of each node are preserved. We then identify strong nonlinear relationships between the GDP and the parameters of the model. This ultimately results in a weighted generalization of the fitness model of trade, where the GDP plays the role of a ‘macroeconomic fitness’ shaping the binary and the weighted structure of the ITN simultaneously. Our model mathematically explains an important asymmetry in the role of binary and weighted network properties, namely the fact that binary properties can be inferred without the knowledge of weighted ones, while the opposite is not true.

Raman Spectroscopy as the Method of Detection for Constructing a Binary Liquid-Vapor Phase Diagram

ERIC Educational Resources Information Center

Scardino, Debra J.; Howard, Austin A.; McDowell, Matthew D.; Hammer, Nathan I.

2011-01-01

The physical chemistry laboratory is sometimes constrained to one semester, resulting in pedagogical deficiencies for the students taking the course. The use of a multidimensional laboratory exercise offers students the opportunity to encounter multiple experimental techniques and physical chemistry concepts while not sacrificing a significant…

PLUTONIUM-THORIUM ALLOYS

DOEpatents

Schonfeld, F.W.

1959-09-15

New plutonium-base binary alloys useful as liquid reactor fuel are described. The alloys consist of 50 to 98 at.% thorium with the remainder plutonium. The stated advantages of these alloys over unalloyed plutonium for reactor fuel use are easy fabrication, phase stability, and the accompanying advantuge of providing a means for converting Th/sup 232/ into U/sup 233/.

Estimation of interfacial area in a packed cross-flow cascade with distillation of ethanol-water, methanol-water, and hexane-heptane

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

Velaga, A.

1986-01-01

Packed cross-flow internals consisting of four and ten stages including the samplers for liquid and vapor were fabricated to fit into the existing distillation column. Experiments were conducted using methanol-water, ethanol-water and hexane-heptane binary mixtures. The experimental data were collected for compositions of inlet and exist streams of cross-flow stages. The overall gas phase height transfer units (H/sub og/) were estimated using the experimental data. H/sub og/ values were compared to those of counter current conditions. The individual mass transfer coefficients in the liquid and vapor phases were estimated using the collected experimental data for degree of separation, flow ratesmore » and physical properties of the binary system used. The physical properties were estimated at an average temperature of the specific cross-flow stage. The mass transfer coefficients were evaluated using three different correlations proposed by Shulman. Onda and Hayashi respectively. The interfacial areas were estimated using the evaluated mass transfer coefficients and the experimental data at each stage of the column for different runs and compared.« less

Growth Mechanism of Nanowires: Binary and Ternary Chalcogenides

NASA Technical Reports Server (NTRS)

Singh, N. B.; Coriell, S. R.; Su, Ching-Hua; Hopkins, R. H.; Arnold, B.; Choa, Fow-Sen; Cullum, Brian

2016-01-01

Semiconductor nanowires exhibit very exciting optical and electrical properties including high transparency and a several order of magnitude better photocurrent than thin film and bulk materials. We present here the mechanism of nanowire growth from the melt-liquid-vapor medium. We describe preliminary results of binary and ternary selenide materials in light of recent theories. Experiments were performed with lead selenide and thallium arsenic selenide systems which are multifunctional material and have been used for detectors, acousto-optical, nonlinear and radiation detection applications. We observed that small units of nanocubes and elongated nanoparticles arrange and rearrange at moderate melt undercooling to form the building block of a nanowire. Since we avoided the catalyst, we observed self-nucleation and uncontrolled growth of wires from different places. Growth of lead selenide nanowires was performed by physical vapor transport method and thallium arsenic selenide nanowire by vapor-liquid-solid (VLS) method. In some cases very long wires (>mm) are formed. To achieve this goal experiments were performed to create situation where nanowires grew on the surface of solid thallium arsenic selenide itself.

Behavior of Sn atoms in GeSn thin films during thermal annealing: Ex-situ and in-situ observations

NASA Astrophysics Data System (ADS)

Takase, Ryohei; Ishimaru, Manabu; Uchida, Noriyuki; Maeda, Tatsuro; Sato, Kazuhisa; Lieten, Ruben R.; Locquet, Jean-Pierre

2016-12-01

Thermally induced crystallization processes for amorphous GeSn thin films with Sn concentrations beyond the solubility limit of the bulk crystal Ge-Sn binary system have been examined by X-ray photoelectron spectroscopy, grazing incidence X-ray diffraction, and (scanning) transmission electron microscopy. We paid special attention to the behavior of Sn before and after recrystallization. In the as-deposited specimens, Sn atoms were homogeneously distributed in an amorphous matrix. Prior to crystallization, an amorphous-to-amorphous phase transformation associated with the rearrangement of Sn atoms was observed during heat treatment; this transformation is reversible with respect to temperature. Remarkable recrystallization occurred at temperatures above 400 °C, and Sn atoms were ejected from the crystallized GeSn matrix. The segregation of Sn became more pronounced with increasing annealing temperature, and the ejected Sn existed as a liquid phase. It was found that the molten Sn remains as a supercooled liquid below the eutectic temperature of the Ge-Sn binary system during the cooling process, and finally, β-Sn precipitates were formed at ambient temperature.

Reports of investigations on: Derivation of an infinite-dilution activity coefficient model and application to two-component vapor/liquid equilibria data: Final report

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

Roper, V.P.; Kobayashi, R.

1988-02-01

Infinite-dilution fugacity coefficients were obtained for the system fluorene/phenanthrene at thirteen temperatures by fitting total pressure across the entire mole fraction range by a computer routine. A thermodynamically consistent routine, that allowed for both positive and negative pressure deviations from the ideal values, was used to correlate data over the full mole fraction range from 0 to 1. The four-suffix Margules activity coefficient model without modification essentially served this purpose since total pressures and total pressure derivatives with respect to mole fraction were negligible compared to pressure measurement precision. The water/ethanol system and binary systems comprised of aniline, chlorobenzene, acetonitrilemore » and other polar compounds were fit for total pressure across the entire mole fraction range for binary Vapor-Liquid-Equilbria (VLE) using the rigorous, thermodynamically consistent Gibbs-Duhem Relation derived by Ibl and Dodge. Data correlation was performed using a computer least squares procedure. Infinite-dilution fugacity coefficients were obtained using a modified Margules activity coefficient model.« less

Hele-Shaw scaling properties of low-contrast Saffman-Taylor flows

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

DiFrancesco, M. W.; Maher, J. V.

1989-07-01

We have measured variations of Saffman-Taylor flows by changingdimensionless surface tension /ital B/ alone and by changing /ital B/ inconjunction with changes in dimensionless viscosity contrast /ital A/. Ourlow-aspect-ratio cell permits close study of the linear- and earlynonlinear-flow regimes. Our critical binary-liquid sample allows study of verylow values of /ital A/. The predictions of linear stability analysis work wellfor predicting which length scales are important, but discrepancies areobserved for growth rates. We observe an empirical scaling law for growth ofthe Fourier modes of the patterns in the linear regime. The observed frontpropagation velocity for side-wall disturbances is constantly 2+-1in dimensionlessmore » units, a value consistent with the predictions of Langer andof van Saarloos. Patterns in both the linear and nonlinear regimes collapseimpressively under the scaling suggested by the Hele-Shaw equations. Violationsof scaling due to wetting phenomena are not evident here, presumably becausethe wetting properties of the two phases of the critical binary liquid are sosimilar; thus direct comparison with large-scale Hele-Shaw simulations shouldbe meaningful.« less

Doubly-excited pulse-waves on flowing liquid films: experiments and numerical simulations

NASA Astrophysics Data System (ADS)

Adebayo, Idris; Xie, Zhihua; Che, Zhizhao; Wray, Alex; Matar, Omar

2016-11-01

The interaction patterns between doubly-excited pulse waves on a flowing liquid film are studied both experimentally and numerically. The flowing film is constituted on an inclined glass substrate while pulse-waves are excited on the film surface by means of a solenoid valve connected to a relay which receives signals from customised Matlab routines. The effect of varying the system parameters i.e. film flow rate, inter-pulse interval and substrate inclination angle on the pulse interaction patterns are then studied. Results show that different interaction patterns exist for these binary pulses; which include a singular behaviour, complete merger, partial merger and total non-coalescence. A regime map of these patterns is then plotted for each inclination angles examined, based on the film Re and the inter-pulse interval. Finally, the individual effect of the system parameters on the merging distance of these binary pulses in the merger mode is then studied and the results validated using both numerical simulations and mathematical modelling. Funding from the Nigerian Government (for Idris Adebayo), and the EPSRC through a programme Grant MEMPHIS (EP/K003976/1) gratefully acknowledged.

Enthalpy of mixing of liquid systems for lead free soldering: Ni-Sb-Sn system.

PubMed

Elmahfoudi, A; Fürtauer, S; Sabbar, A; Flandorfer, H

2012-04-20

The partial and integral enthalpies of mixing of liquid ternary Ni-Sb-Sn alloys were determined along five sections x Sb / x Sn  = 3:1, x Sb / x Sn  = 1:1, x Sb / x Sn  = 1:3, x Ni / x Sn  = 1:4, and x Ni / x Sb  = 1:4 at 1000 °C in a large compositional range using drop calorimetry techniques. The mixing enthalpy of Ni-Sb alloys was determined at the same temperature and described by a Redlich-Kister polynomial. The other binary data were carefully evaluated from literature values. Our measured ternary data were fitted on the basis of an extended Redlich-Kister-Muggianu model for substitutional solutions. Additionally, a comparison of these results to the extrapolation model of Toop is given. The entire ternary system shows exothermic values of Δ mix H ranging from approx. -1300 J/mol, the minimum in the Sb-Sn binary system down to approx. -24,500 J/mol towards Ni-Sb. No significant ternary interaction could be deduced from our data.

Solvent coarsening around colloids driven by temperature gradients

NASA Astrophysics Data System (ADS)

Roy, Sutapa; Dietrich, Siegfried; Maciolek, Anna

2018-04-01

Using mesoscopic numerical simulations and analytical theory, we investigate the coarsening of the solvent structure around a colloidal particle emerging after a temperature quench of the colloid surface. Qualitative differences in the coarsening mechanisms are found, depending on the composition of the binary liquid mixture forming the solvent and on the adsorption preferences of the colloid. For an adsorptionwise neutral colloid, the phase next to its surface alternates as a function of time. This behavior sets in on the scale of the relaxation time of the solvent and is absent for colloids with strong adsorption preferences. A Janus colloid, with a small temperature difference between its two hemispheres, reveals an asymmetric structure formation and surface enrichment around it, even if the solvent is within its one-phase region and if the temperature of the colloid is above the critical demixing temperature Tc of the solvent. Our phenomenological model turns out to capture recent experimental findings according to which, upon laser illumination of a Janus colloid and due to the ensuing temperature gradient between its two hemispheres, the surrounding binary liquid mixture develops a concentration gradient.